CID 21650586

88166-21-6

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

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

InChI

InChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h9-11H,4-8H2,1-3H3

InChIKey

HIIVFCPSWQQHEF-UHFFFAOYSA-N

Compound name

2-(4-tert-butylcyclohexyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 182.16707 Da
Monoisotopic Mass: 3.8
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]+	183.17435	144.7
[M+Na]+	205.15629	155.1
[M+NH4]+	200.20089	153.3
[M+K]+	221.13023	148.7
[M-H]-	181.15979	146.2
[M+Na-2H]-	203.14174	149.2
[M]+	182.16652	146.6
[M]-	182.16762	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe