CID 445750

Alpha-methyl-n-acetyl-d-glucosamine

Structural Information

Molecular Formula
C9H17NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O
InChI
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1
InChIKey
ZEVOCXOZYFLVKN-JGKVKWKGSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

235.10559 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11287 150.6
[M+Na]+ 258.09481 156.1
[M-H]- 234.09831 150.8
[M+NH4]+ 253.13941 165.1
[M+K]+ 274.06875 156.3
[M+H-H2O]+ 218.10285 145.0
[M+HCOO]- 280.10379 166.7
[M+CH3COO]- 294.11944 187.5
[M+Na-2H]- 256.08026 151.9
[M]+ 235.10504 149.4
[M]- 235.10614 149.4
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