CID 19937910

1-(bromomethyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1CC1(CBr)C(=O)O
InChI
InChI=1S/C5H7BrO2/c6-3-5(1-2-5)4(7)8/h1-3H2,(H,7,8)
InChIKey
XATQKLPPZOINMH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

177.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.970216 129.4
[M+Na]+ 200.952158 142.6
[M-H]- 176.955664 135.8
[M+NH4]+ 195.996763 149.5
[M+K]+ 216.926098 132.5
[M+H-H2O]+ 160.960200 130.9
[M+HCOO]- 222.961141 149.4
[M+CH3COO]- 236.976791 178.1
[M+Na-2H]- 198.937606 137.9
[M]+ 177.96239142 149.3
[M]- 177.96348858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe