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
4
Annotation Hits

21
References

9507
Patents

151.9473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.954576 121.9
[M+Na]+ 174.936518 133.1
[M-H]- 150.940024 124.1
[M+NH4]+ 169.981123 145.7
[M+K]+ 190.910458 123.9
[M+H-H2O]+ 134.944560 123.2
[M+HCOO]- 196.945501 141.4
[M+CH3COO]- 210.961151 171.5
[M+Na-2H]- 172.921966 128.6
[M]+ 151.94675142 139.3
[M]- 151.94784858 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