CID 15734146

3-(1-methylcyclopropyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.08372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 140.8
[M+Na]+ 199.07294 154.8
[M+NH4]+ 194.11754 151.3
[M+K]+ 215.04688 148.4
[M-H]- 175.07644 150.7
[M+Na-2H]- 197.05839 151.9
[M]+ 176.08317 146.9
[M]- 176.08427 146.9
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