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

17
Patents

177.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 129.4
[M+Na]+ 200.95216 142.6
[M-H]- 176.95566 135.8
[M+NH4]+ 195.99676 149.5
[M+K]+ 216.92610 132.5
[M+H-H2O]+ 160.96020 130.9
[M+HCOO]- 222.96114 149.4
[M+CH3COO]- 236.97679 178.1
[M+Na-2H]- 198.93761 137.9
[M]+ 177.96239 149.3
[M]- 177.96349 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