CID 120753

D-glucose, 3-acetamido-3-deoxy-

Structural Information

Molecular Formula
C8H15NO6
SMILES
CC(=O)N[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C8H15NO6/c1-4(12)9-7(5(13)2-10)8(15)6(14)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
InChIKey
COOPVYPQMRXUHU-LXGUWJNJSA-N
Compound name
N-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

221.08994 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.097216 149.1
[M+Na]+ 244.079158 152.0
[M-H]- 220.082664 143.4
[M+NH4]+ 239.123763 163.5
[M+K]+ 260.053098 152.2
[M+H-H2O]+ 204.087200 143.8
[M+HCOO]- 266.088141 163.9
[M+CH3COO]- 280.103791 183.1
[M+Na-2H]- 242.064606 146.9
[M]+ 221.08939142 146.5
[M]- 221.09048858 146.5
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