CID 85617

Cyclopentyl acrylate

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C=CC(=O)OC1CCCC1

InChI

InChI=1S/C8H12O2/c1-2-8(9)10-7-5-3-4-6-7/h2,7H,1,3-6H2

InChIKey

BTQLDZMOTPTCGG-UHFFFAOYSA-N

Compound name

cyclopentyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4956
Patents: 140.08372 Da
Monoisotopic Mass: 2.0
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]+	141.090996	130.7
[M+Na]+	163.072938	136.7
[M-H]-	139.076444	133.7
[M+NH4]+	158.117543	153.7
[M+K]+	179.046878	136.0
[M+H-H2O]+	123.080980	125.6
[M+HCOO]-	185.081921	153.2
[M+CH3COO]-	199.097571	171.6
[M+Na-2H]-	161.058386	133.9
[M]+	140.08317142	128.7
[M]-	140.08426858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe