CID 11790325

4535-96-0

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

COC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

InChIKey

GIBVXUDPIGVGMR-UHFFFAOYSA-N

Compound name

methyl 1-phenylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 204.11504 Da
Monoisotopic Mass: 3.1
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]+	205.12232	147.8
[M+Na]+	227.10426	159.1
[M+NH4]+	222.14886	158.2
[M+K]+	243.07820	152.2
[M-H]-	203.10776	151.2
[M+Na-2H]-	225.08971	156.2
[M]+	204.11449	150.4
[M]-	204.11559	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe