CID 5131156

292623-33-7

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC1(CC1Br)C(=O)O
InChI
InChI=1S/C5H7BrO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKey
AQAFCWJNUSCJIA-UHFFFAOYSA-N
Compound name
2-bromo-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

177.96294 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe