CID 274427

19656-91-8

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: 18
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]+	111.080442	121.2
[M+Na]+	133.062384	128.7
[M-H]-	109.065890	124.7
[M+NH4]+	128.106989	145.7
[M+K]+	149.036324	127.7
[M+H-H2O]+	93.070426	116.4
[M+HCOO]-	155.071367	146.1
[M+CH3COO]-	169.087017	167.0
[M+Na-2H]-	131.047832	127.3
[M]+	110.07261742	120.4
[M]-	110.07371458	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe