CID 151093

N-methylglucosamine

Structural Information

Molecular Formula
C7H15NO5
SMILES
CN[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C7H15NO5/c1-8-4(2-9)6(12)7(13)5(11)3-10/h2,4-8,10-13H,3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
LDDMACCNBZAMSG-BDVNFPICSA-N
Compound name
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

49
References

13640
Patents

193.09502 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.102296 143.6
[M+Na]+ 216.084238 146.9
[M-H]- 192.087744 138.0
[M+NH4]+ 211.128843 159.3
[M+K]+ 232.058178 146.7
[M+H-H2O]+ 176.092280 138.5
[M+HCOO]- 238.093221 159.3
[M+CH3COO]- 252.108871 178.3
[M+Na-2H]- 214.069686 143.0
[M]+ 193.09447142 140.6
[M]- 193.09556858 140.6
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