CID 83694595

1-propyl-cyclohexanecarbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCC1(CCCCC1)C=O

InChI

InChI=1S/C10H18O/c1-2-6-10(9-11)7-4-3-5-8-10/h9H,2-8H2,1H3

InChIKey

DKJIWXITRCKDOW-UHFFFAOYSA-N

Compound name

1-propylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 154.13577 Da
Monoisotopic Mass: 3.1
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]+	155.143046	135.7
[M+Na]+	177.124988	140.8
[M-H]-	153.128494	138.5
[M+NH4]+	172.169593	158.5
[M+K]+	193.098928	139.6
[M+H-H2O]+	137.133030	130.8
[M+HCOO]-	199.133971	156.0
[M+CH3COO]-	213.149621	176.2
[M+Na-2H]-	175.110436	141.5
[M]+	154.13522142	132.7
[M]-	154.13631858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe