CID 4613556

1-cyclohexene-1-carboxaldehyde, 3-methyl-

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC1CCCC(=C1)C=O

InChI

InChI=1S/C8H12O/c1-7-3-2-4-8(5-7)6-9/h5-7H,2-4H2,1H3

InChIKey

VHWMVBZKOFEBJW-UHFFFAOYSA-N

Compound name

3-methylcyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 124.08881 Da
Monoisotopic Mass: 2.0
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]+	125.09609	125.1
[M+Na]+	147.07803	137.5
[M+NH4]+	142.12263	134.7
[M+K]+	163.05197	130.7
[M-H]-	123.08153	127.7
[M+Na-2H]-	145.06348	131.7
[M]+	124.08826	127.6
[M]-	124.08936	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe