CID 3084462

Hexacosanal

Structural Information

Molecular Formula

C₂₆H₅₂O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3

InChIKey

QAXXQMIHMLTJQI-UHFFFAOYSA-N

Compound name

hexacosanal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 331
Patents: 380.40182 Da
Monoisotopic Mass: 12.5
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]+	381.40910	210.1
[M+Na]+	403.39104	209.3
[M-H]-	379.39454	206.5
[M+NH4]+	398.43564	222.2
[M+K]+	419.36498	203.6
[M+H-H2O]+	363.39908	201.9
[M+HCOO]-	425.40002	227.6
[M+CH3COO]-	439.41567	228.3
[M+Na-2H]-	401.37649	206.5
[M]+	380.40127	219.8
[M]-	380.40237	219.8

Literature stripe

literature stripe

Patent stripe

patents stripe