CID 24850524

2-phenylcyclopent-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C12H12O2
SMILES
C1CC(=C(C1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H12O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey
KILXGKALLKILIE-UHFFFAOYSA-N
Compound name
2-phenylcyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

188.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 141.4
[M+Na]+ 211.07294 153.4
[M+NH4]+ 206.11754 150.2
[M+K]+ 227.04688 148.9
[M-H]- 187.07644 144.5
[M+Na-2H]- 209.05839 148.6
[M]+ 188.08317 143.9
[M]- 188.08427 143.9
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