CID 78737

Cyclododecanecarbaldehyde

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

C1CCCCCC(CCCCC1)C=O

InChI

InChI=1S/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

InChIKey

KIYUNVUWDQKWPJ-UHFFFAOYSA-N

Compound name

cyclododecanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 196.18271 Da
Monoisotopic Mass: 5.1
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]+	197.18999	147.9
[M+Na]+	219.17193	157.3
[M+NH4]+	214.21653	156.0
[M+K]+	235.14587	149.8
[M-H]-	195.17543	150.8
[M+Na-2H]-	217.15738	153.2
[M]+	196.18216	149.6
[M]-	196.18326	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe