CID 15001779

Schembl1532909

Structural Information

Molecular Formula

C₁₇H₃₀O

SMILES

CCCCC1CCC(CC1)C2CCC(CC2)C=O

InChI

InChI=1S/C17H30O/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h13-17H,2-12H2,1H3

InChIKey

YSYGZQJYTBRKIH-UHFFFAOYSA-N

Compound name

4-(4-butylcyclohexyl)cyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 250.22966 Da
Monoisotopic Mass: 6.1
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]+	251.236936	164.8
[M+Na]+	273.218878	166.0
[M-H]-	249.222384	169.0
[M+NH4]+	268.263483	181.5
[M+K]+	289.192818	162.6
[M+H-H2O]+	233.226920	157.3
[M+HCOO]-	295.227861	179.8
[M+CH3COO]-	309.243511	196.7
[M+Na-2H]-	271.204326	163.7
[M]+	250.22911142	157.7
[M]-	250.23020858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe