CID 71403317

2-hexacosanone

Structural Information

Molecular Formula

C₂₆H₅₂O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)C

InChI

InChI=1S/C26H52O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2)27/h3-25H2,1-2H3

InChIKey

DBTWKNLFNCALDO-UHFFFAOYSA-N

Compound name

hexacosan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 380.40182 Da
Monoisotopic Mass: 12.2
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	211.4
[M+Na]+	403.39104	210.4
[M-H]-	379.39454	207.9
[M+NH4]+	398.43564	223.5
[M+K]+	419.36498	205.2
[M+H-H2O]+	363.39908	203.3
[M+HCOO]-	425.40002	228.0
[M+CH3COO]-	439.41567	229.0
[M+Na-2H]-	401.37649	206.5
[M]+	380.40127	220.4
[M]-	380.40237	220.4

Literature stripe

literature stripe

Patent stripe

patents stripe