PubChemLite - N-acetylmuramic acid 6-phosphate (C11H20NO11P)

Structural Information

Molecular Formula

SMILES

C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C

InChI

InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1

InChIKey

NMEMTQKUEVNSPV-YVNCZSHWSA-N

Compound name

(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	374.08468	175.3
[M+Na]+	396.06662	177.2
[M-H]-	372.07012	171.1
[M+NH4]+	391.11122	181.8
[M+K]+	412.04056	180.1
[M+H-H2O]+	356.07466	167.1
[M+HCOO]-	418.07560	190.4
[M+CH3COO]-	432.09125	210.2
[M+Na-2H]-	394.05207	172.4
[M]+	373.07685	176.3
[M]-	373.07795	176.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

374.08468

175.3

[M+Na]+

396.06662

177.2

[M-H]-

372.07012

171.1

[M+NH4]+

391.11122

181.8

[M+K]+

412.04056

180.1

[M+H-H2O]+

356.07466

167.1

[M+HCOO]-

418.07560

190.4

[M+CH3COO]-

432.09125

210.2

[M+Na-2H]-

394.05207

172.4

[M]+

373.07685

176.3

[M]-

373.07795

176.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-acetylmuramic acid 6-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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