CID 21712656

2-octyldodecanal

Structural Information

Molecular Formula

C₂₀H₄₀O

SMILES

CCCCCCCCCCC(CCCCCCCC)C=O

InChI

InChI=1S/C20H40O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h19-20H,3-18H2,1-2H3

InChIKey

KTABAZHDUBOMSI-UHFFFAOYSA-N

Compound name

2-octyldodecanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 296.30792 Da
Monoisotopic Mass: 9.1
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]+	297.31520	182.5
[M+Na]+	319.29714	190.5
[M+NH4]+	314.34174	188.6
[M+K]+	335.27108	181.4
[M-H]-	295.30064	181.6
[M+Na-2H]-	317.28259	183.1
[M]+	296.30737	183.2
[M]-	296.30847	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe