PubChemLite - N-acetyl-d-glucosamine 6-phosphate (C8H16NO9P)

Structural Information

Molecular Formula

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O

InChI

InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1

InChIKey

BRGMHAYQAZFZDJ-RTRLPJTCSA-N

Compound name

[(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

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]+	302.06355	161.9
[M+Na]+	324.04549	165.9
[M-H]-	300.04899	158.1
[M+NH4]+	319.09009	172.2
[M+K]+	340.01943	166.9
[M+H-H2O]+	284.05353	154.2
[M+HCOO]-	346.05447	179.3
[M+CH3COO]-	360.07012	194.7
[M+Na-2H]-	322.03094	161.5
[M]+	301.05572	160.8
[M]-	301.05682	160.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.06355

161.9

[M+Na]+

324.04549

165.9

[M-H]-

300.04899

158.1

[M+NH4]+

319.09009

172.2

[M+K]+

340.01943

166.9

[M+H-H2O]+

284.05353

154.2

[M+HCOO]-

346.05447

179.3

[M+CH3COO]-

360.07012

194.7

[M+Na-2H]-

322.03094

161.5

[M]+

301.05572

160.8

[M]-

301.05682

160.8

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

N-acetyl-d-glucosamine 6-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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