CID 11333063

620159-84-4

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

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

InChI

InChI=1S/C13H24O/c1-4-13(2,3)12-7-5-11(6-8-12)9-10-14/h10-12H,4-9H2,1-3H3

InChIKey

VSJZJBVOENMSRL-UHFFFAOYSA-N

Compound name

2-[4-(2-methylbutan-2-yl)cyclohexyl]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 196.18271 Da
Monoisotopic Mass: 4.4
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]+	197.18999	149.0
[M+Na]+	219.17193	159.1
[M+NH4]+	214.21653	157.4
[M+K]+	235.14587	152.5
[M-H]-	195.17543	150.5
[M+Na-2H]-	217.15738	153.2
[M]+	196.18216	150.8
[M]-	196.18326	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe