CID 126970838

2-bromo-2-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC1(CC1C(=O)O)Br
InChI
InChI=1S/C5H7BrO2/c1-5(6)2-3(5)4(7)8/h3H,2H2,1H3,(H,7,8)
InChIKey
NYZUJAVLSSPOKR-UHFFFAOYSA-N
Compound name
2-bromo-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.96294 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 128.1
[M+Na]+ 200.95216 142.1
[M-H]- 176.95566 134.9
[M+NH4]+ 195.99676 148.5
[M+K]+ 216.92610 131.9
[M+H-H2O]+ 160.96020 129.8
[M+HCOO]- 222.96114 148.1
[M+CH3COO]- 236.97679 179.1
[M+Na-2H]- 198.93761 136.1
[M]+ 177.96239 148.4
[M]- 177.96349 148.4
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

No patent data available for this compound.