CID 152920

N-bromoacetylglucosamine

Structural Information

Molecular Formula
C8H14BrNO6
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)CBr)O)O)O)O
InChI
InChI=1S/C8H14BrNO6/c9-1-6(14)10-4(2-11)7(15)8(16)5(13)3-12/h2,4-5,7-8,12-13,15-16H,1,3H2,(H,10,14)/t4-,5+,7+,8+/m0/s1
InChIKey
OFCLIDPLXVQJAP-LRSZDJBLSA-N
Compound name
2-bromo-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

299.00046 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.00774 158.5
[M+Na]+ 321.98968 163.9
[M-H]- 297.99318 155.2
[M+NH4]+ 317.03428 173.1
[M+K]+ 337.96362 153.7
[M+H-H2O]+ 281.99772 156.8
[M+HCOO]- 343.99866 170.7
[M+CH3COO]- 358.01431 192.9
[M+Na-2H]- 319.97513 157.3
[M]+ 298.99991 173.6
[M]- 299.00101 173.6
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