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]+ 178.970216 128.1
[M+Na]+ 200.952158 142.1
[M-H]- 176.955664 134.9
[M+NH4]+ 195.996763 148.5
[M+K]+ 216.926098 131.9
[M+H-H2O]+ 160.960200 129.8
[M+HCOO]- 222.961141 148.1
[M+CH3COO]- 236.976791 179.1
[M+Na-2H]- 198.937606 136.1
[M]+ 177.96239142 148.4
[M]- 177.96348858 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.