CID 13240747

Cyclodecanecarbaldehyde

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C1CCCCC(CCCC1)C=O

InChI

InChI=1S/C11H20O/c12-10-11-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

InChIKey

YTVHEWZXFAIRCL-UHFFFAOYSA-N

Compound name

cyclodecanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 168.15141 Da
Monoisotopic Mass: 4.0
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]+	169.158686	137.8
[M+Na]+	191.140628	140.8
[M-H]-	167.144134	137.4
[M+NH4]+	186.185233	155.2
[M+K]+	207.114568	140.4
[M+H-H2O]+	151.148670	135.1
[M+HCOO]-	213.149611	156.0
[M+CH3COO]-	227.165261	174.1
[M+Na-2H]-	189.126076	140.8
[M]+	168.15086142	129.0
[M]-	168.15195858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe