CID 175577

Cyclohexaneacetaldehyde, 4-(1-methylethyl)-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(C)C1CCC(CC1)CC=O

InChI

InChI=1S/C11H20O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h8-11H,3-7H2,1-2H3

InChIKey

DTUMUCFHNCPJHZ-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylcyclohexyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.15869	140.5
[M+Na]+	191.14063	151.0
[M+NH4]+	186.18523	149.4
[M+K]+	207.11457	144.4
[M-H]-	167.14413	142.5
[M+Na-2H]-	189.12608	145.0
[M]+	168.15086	142.4
[M]-	168.15196	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe