CID 118196122

2-(1-methylcyclopropyl)benzoic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(CC1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H12O2/c1-11(6-7-11)9-5-3-2-4-8(9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
DACFJVCFVNMHEA-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.08372 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.5
[M+Na]+ 199.07294 145.2
[M-H]- 175.07644 142.4
[M+NH4]+ 194.11754 152.2
[M+K]+ 215.04688 142.9
[M+H-H2O]+ 159.08098 130.5
[M+HCOO]- 221.08192 157.8
[M+CH3COO]- 235.09757 181.4
[M+Na-2H]- 197.05839 142.0
[M]+ 176.08317 137.9
[M]- 176.08427 137.9
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