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: 8
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]+	155.14305	135.7
[M+Na]+	177.12499	140.8
[M-H]-	153.12849	138.5
[M+NH4]+	172.16959	158.5
[M+K]+	193.09893	139.6
[M+H-H2O]+	137.13303	130.8
[M+HCOO]-	199.13397	156.0
[M+CH3COO]-	213.14962	176.2
[M+Na-2H]-	175.11044	141.5
[M]+	154.13522	132.7
[M]-	154.13632	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe