CID 45090128

59253-91-7

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C=CCOC(=O)C1=CCCC1

InChI

InChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2

InChIKey

CIDHHOFKKVBARY-UHFFFAOYSA-N

Compound name

prop-2-enyl cyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 152.08372 Da
Monoisotopic Mass: 2.1
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]+	153.09100	134.2
[M+Na]+	175.07294	144.1
[M+NH4]+	170.11754	142.3
[M+K]+	191.04688	140.0
[M-H]-	151.07644	134.8
[M+Na-2H]-	173.05839	138.5
[M]+	152.08317	135.5
[M]-	152.08427	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe