CID 23423017

869941-94-6

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC=C(C=C1)C2CC2C(=O)O
InChI
InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)
InChIKey
GAGYDDATWSBNEG-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 133.8
[M+Na]+ 199.072938 143.7
[M-H]- 175.076444 140.7
[M+NH4]+ 194.117543 148.9
[M+K]+ 215.046878 140.4
[M+H-H2O]+ 159.080980 127.9
[M+HCOO]- 221.081921 156.5
[M+CH3COO]- 235.097571 182.9
[M+Na-2H]- 197.058386 138.7
[M]+ 176.08317142 136.2
[M]- 176.08426858 136.2
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