CID 14870196

2-bromo-n-methylpropanamide

Structural Information

Molecular Formula
C4H8BrNO
SMILES
CC(C(=O)NC)Br
InChI
InChI=1S/C4H8BrNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)
InChIKey
ALSQAGFRBPHNIQ-UHFFFAOYSA-N
Compound name
2-bromo-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

164.97893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.98621 127.2
[M+Na]+ 187.96815 137.6
[M-H]- 163.97165 130.6
[M+NH4]+ 183.01275 150.9
[M+K]+ 203.94209 128.4
[M+H-H2O]+ 147.97619 127.5
[M+HCOO]- 209.97713 148.5
[M+CH3COO]- 223.99278 178.8
[M+Na-2H]- 185.95360 134.0
[M]+ 164.97838 144.5
[M]- 164.97948 144.5
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