CID 88655

20691-52-5

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

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

InChIKey

MXGRYXNVQNESIN-UHFFFAOYSA-N

Compound name

4-tert-butylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 189
Patents: 168.15141 Da
Monoisotopic Mass: 3.2
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]+	169.15869	139.5
[M+Na]+	191.14063	144.8
[M-H]-	167.14413	142.5
[M+NH4]+	186.18523	160.3
[M+K]+	207.11457	143.5
[M+H-H2O]+	151.14867	134.7
[M+HCOO]-	213.14961	158.0
[M+CH3COO]-	227.16526	180.4
[M+Na-2H]-	189.12608	143.8
[M]+	168.15086	136.5
[M]-	168.15196	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe