CID 233589

3-bromopropionamide

Structural Information

Molecular Formula
C3H6BrNO
SMILES
C(CBr)C(=O)N
InChI
InChI=1S/C3H6BrNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKey
DBIVLAVBOICUQX-UHFFFAOYSA-N
Compound name
3-bromopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

836
Patents

150.96329 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.97057 122.5
[M+Na]+ 173.95251 133.4
[M-H]- 149.95601 125.4
[M+NH4]+ 168.99711 146.4
[M+K]+ 189.92645 123.6
[M+H-H2O]+ 133.96055 122.9
[M+HCOO]- 195.96149 144.4
[M+CH3COO]- 209.97714 175.2
[M+Na-2H]- 171.93796 130.0
[M]+ 150.96274 139.2
[M]- 150.96384 139.2
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