CID 15490745

2-bromo-n-methylacetamide

Structural Information

Molecular Formula
C3H6BrNO
SMILES
CNC(=O)CBr
InChI
InChI=1S/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey
LBVZINOLAFTARU-UHFFFAOYSA-N
Compound name
2-bromo-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1048
Patents

150.96329 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.97057 121.8
[M+Na]+ 173.95251 132.9
[M-H]- 149.95601 125.2
[M+NH4]+ 168.99711 146.1
[M+K]+ 189.92645 123.4
[M+H-H2O]+ 133.96055 122.3
[M+HCOO]- 195.96149 144.3
[M+CH3COO]- 209.97714 175.2
[M+Na-2H]- 171.93796 130.4
[M]+ 150.96274 139.4
[M]- 150.96384 139.4
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