CID 5131156

2-bromo-1-methyl-cyclopropanecarboxylic acid

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

8
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 122.9
[M+Na]+ 200.95216 126.3
[M+NH4]+ 195.99676 129.3
[M+K]+ 216.92610 127.8
[M-H]- 176.95566 128.0
[M+Na-2H]- 198.93761 128.7
[M]+ 177.96239 124.7
[M]- 177.96349 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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