CID 20242350

89116-22-3

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(C=O)C1CCC(=C)CC1

InChI

InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h7,9-10H,1,3-6H2,2H3

InChIKey

JNRATHVXQNNAQX-UHFFFAOYSA-N

Compound name

2-(4-methylidenecyclohexyl)propanal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 82
Patents: 152.12012 Da
Monoisotopic Mass: 2.3
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]+	153.127396	134.0
[M+Na]+	175.109338	139.1
[M-H]-	151.112844	136.8
[M+NH4]+	170.153943	155.0
[M+K]+	191.083278	137.5
[M+H-H2O]+	135.117380	128.8
[M+HCOO]-	197.118321	153.5
[M+CH3COO]-	211.133971	177.7
[M+Na-2H]-	173.094786	136.8
[M]+	152.11957142	129.7
[M]-	152.12066858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe