CID 83481885

2-methyl-3-phenylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1C(C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,12,13)
InChIKey
MRSGPOUTCALJOZ-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 133.8
[M+Na]+ 199.07294 143.7
[M-H]- 175.07644 140.7
[M+NH4]+ 194.11754 148.9
[M+K]+ 215.04688 140.4
[M+H-H2O]+ 159.08098 127.9
[M+HCOO]- 221.08192 156.5
[M+CH3COO]- 235.09757 182.9
[M+Na-2H]- 197.05839 138.7
[M]+ 176.08317 136.2
[M]- 176.08427 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