CID 101118

2-bromopropanamide

Structural Information

Molecular Formula
C3H6BrNO
SMILES
CC(C(=O)N)Br
InChI
InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChIKey
AUHYZQCEIVEMFH-UHFFFAOYSA-N
Compound name
2-bromopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1213
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 123.3
[M+Na]+ 173.95251 134.0
[M-H]- 149.95601 126.2
[M+NH4]+ 168.99711 147.1
[M+K]+ 189.92645 124.6
[M+H-H2O]+ 133.96055 123.7
[M+HCOO]- 195.96149 144.2
[M+CH3COO]- 209.97714 176.0
[M+Na-2H]- 171.93796 129.5
[M]+ 150.96274 139.3
[M]- 150.96384 139.3
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