CID 24139

N-acetyl-beta-d-glucosamine

Structural Information

Molecular Formula
C8H15NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChIKey
OVRNDRQMDRJTHS-FMDGEEDCSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

16033
References

142931
Patents

221.08994 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09722 146.9
[M+Na]+ 244.07916 153.4
[M+NH4]+ 239.12376 151.0
[M+K]+ 260.05310 152.8
[M-H]- 220.08266 145.7
[M+Na-2H]- 242.06461 145.7
[M]+ 221.08939 146.7
[M]- 221.09049 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe