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: 52
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]+	127.07536	125.8
[M+Na]+	149.05730	136.0
[M+NH4]+	144.10190	134.5
[M+K]+	165.03124	132.5
[M-H]-	125.06080	126.7
[M+Na-2H]-	147.04275	130.8
[M]+	126.06753	127.2
[M]-	126.06863	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe