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

1286
Patents

150.96329 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.970566 123.3
[M+Na]+ 173.952508 134.0
[M-H]- 149.956014 126.2
[M+NH4]+ 168.997113 147.1
[M+K]+ 189.926448 124.6
[M+H-H2O]+ 133.960550 123.7
[M+HCOO]- 195.961491 144.2
[M+CH3COO]- 209.977141 176.0
[M+Na-2H]- 171.937956 129.5
[M]+ 150.96274142 139.3
[M]- 150.96383858 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