CID 5184540

1-cyclohexene-1-carboxaldehyde

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CCC(=CC1)C=O

InChI

InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2

InChIKey

OANSOJSBHVENEI-UHFFFAOYSA-N

Compound name

cyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2463
Patents: 110.073166 Da
Monoisotopic Mass: 1.6
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	121.3
[M+Na]+	133.06238	133.6
[M+NH4]+	128.10699	131.0
[M+K]+	149.03632	126.7
[M-H]-	109.06589	123.8
[M+Na-2H]-	131.04783	128.4
[M]+	110.07262	123.7
[M]-	110.07371	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe