CID 11729

2-bromopropionic acid

Structural Information

Molecular Formula
C3H5BrO2
SMILES
CC(C(=O)O)Br
InChI
InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N
Compound name
2-bromopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

7225
Patents

151.9473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.95458 121.0
[M+Na]+ 174.93652 122.1
[M+NH4]+ 169.98112 125.2
[M+K]+ 190.91046 124.4
[M-H]- 150.94002 118.5
[M+Na-2H]- 172.92197 121.9
[M]+ 151.94675 119.0
[M]- 151.94785 119.0
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