CID 78365

Methyl cyclopentanecarboxylate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

COC(=O)C1CCCC1

InChI

InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey

IIHIJFJSXPDTNO-UHFFFAOYSA-N

Compound name

methyl cyclopentanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2864
Patents: 128.08372 Da
Monoisotopic Mass: 1.7
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]+	129.09100	127.6
[M+Na]+	151.07294	136.9
[M+NH4]+	146.11754	136.2
[M+K]+	167.04688	133.6
[M-H]-	127.07644	128.3
[M+Na-2H]-	149.05839	131.7
[M]+	128.08317	128.8
[M]-	128.08427	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe