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

13551
Patents

193.09502 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10230 143.6
[M+Na]+ 216.08424 146.9
[M-H]- 192.08774 138.0
[M+NH4]+ 211.12884 159.3
[M+K]+ 232.05818 146.7
[M+H-H2O]+ 176.09228 138.5
[M+HCOO]- 238.09322 159.3
[M+CH3COO]- 252.10887 178.3
[M+Na-2H]- 214.06969 143.0
[M]+ 193.09447 140.6
[M]- 193.09557 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.