CID 15818136

89402-20-0

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C=C1CCC(CC1)C=O

InChI

InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h6,8H,1-5H2

InChIKey

XJUSTHZLZCLFJZ-UHFFFAOYSA-N

Compound name

4-methylidenecyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 124.08881 Da
Monoisotopic Mass: 1.2
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	124.6
[M+Na]+	147.07803	130.8
[M-H]-	123.08153	127.8
[M+NH4]+	142.12263	146.8
[M+K]+	163.05197	129.3
[M+H-H2O]+	107.08607	119.7
[M+HCOO]-	169.08701	145.8
[M+CH3COO]-	183.10266	170.8
[M+Na-2H]-	145.06348	129.8
[M]+	124.08826	120.3
[M]-	124.08936	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe