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

11128
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 142.8
[M+Na]+ 216.08424 146.9
[M+NH4]+ 211.12884 146.3
[M+K]+ 232.05818 147.3
[M-H]- 192.08774 137.6
[M+Na-2H]- 214.06969 140.9
[M]+ 193.09447 141.0
[M]- 193.09557 141.0
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