PubChemLite - N-acetylglucosamine-1-phosphate (C8H16NO9P)

Structural Information

Molecular Formula

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)O)CO)O)O

InChI

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

InChIKey

FZLJPEPAYPUMMR-RTRLPJTCSA-N

Compound name

[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 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	162.4
[M+Na]+	324.04549	165.6
[M+NH4]+	319.09009	163.3
[M+K]+	340.01943	168.4
[M-H]-	300.04899	157.8
[M+Na-2H]-	322.03094	158.2
[M]+	301.05572	160.4
[M]-	301.05682	160.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.06355

162.4

[M+Na]+

324.04549

165.6

[M+NH4]+

319.09009

163.3

[M+K]+

340.01943

168.4

[M-H]-

300.04899

157.8

[M+Na-2H]-

322.03094

158.2

[M]+

301.05572

160.4

[M]-

301.05682

160.4

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

N-acetylglucosamine-1-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe