CID 12924368

Ethyl2-cyclopentylprop-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCOC(=O)C(=C)C1CCCC1

InChI

InChI=1S/C10H16O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h9H,2-7H2,1H3

InChIKey

VPQZBEBHNCEGMY-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopentylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11504 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]+	169.12232	140.4
[M+Na]+	191.10426	145.3
[M-H]-	167.10776	143.1
[M+NH4]+	186.14886	162.3
[M+K]+	207.07820	144.5
[M+H-H2O]+	151.11230	135.0
[M+HCOO]-	213.11324	161.2
[M+CH3COO]-	227.12889	178.5
[M+Na-2H]-	189.08971	141.2
[M]+	168.11449	138.5
[M]-	168.11559	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe