CID 274427

2-cyclopentene-1-acetaldehyde

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC(C=C1)CC=O

InChI

InChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h1,3,6-7H,2,4-5H2

InChIKey

WCCRGRJKEZZBLL-UHFFFAOYSA-N

Compound name

2-cyclopent-2-en-1-ylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 110.073166 Da
Monoisotopic Mass: 1.1
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]+	111.08044	122.3
[M+Na]+	133.06238	133.4
[M+NH4]+	128.10699	131.7
[M+K]+	149.03632	128.5
[M-H]-	109.06589	124.0
[M+Na-2H]-	131.04783	128.2
[M]+	110.07262	124.2
[M]-	110.07371	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe