CID 20313173

91495-75-9

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

C1CC(CC1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)

InChIKey

IWOLSKRVZNXDNU-UHFFFAOYSA-N

Compound name

3-phenylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 190.09938 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.106656	142.0
[M+Na]+	213.088598	147.7
[M-H]-	189.092104	147.0
[M+NH4]+	208.133203	162.3
[M+K]+	229.062538	145.0
[M+H-H2O]+	173.096640	136.0
[M+HCOO]-	235.097581	163.1
[M+CH3COO]-	249.113231	179.2
[M+Na-2H]-	211.074046	144.2
[M]+	190.09883142	138.3
[M]-	190.09992858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe