CID 12856946

Methyl cyclopent-2-ene-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

COC(=O)C1CCC=C1

InChI

InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3

InChIKey

OXCAIEJHPQKJQV-UHFFFAOYSA-N

Compound name

methyl cyclopent-2-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 126.06808 Da
Monoisotopic Mass: 1.3
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]+	127.075356	125.1
[M+Na]+	149.057298	132.3
[M-H]-	125.060804	128.7
[M+NH4]+	144.101903	149.0
[M+K]+	165.031238	132.3
[M+H-H2O]+	109.065340	120.2
[M+HCOO]-	171.066281	149.3
[M+CH3COO]-	185.081931	169.1
[M+Na-2H]-	147.042746	129.9
[M]+	126.06753142	125.0
[M]-	126.06862858	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe