CID 68171

1-hexacosanol

Structural Information

Molecular Formula

C₂₆H₅₄O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C26H54O/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/h27H,2-26H2,1H3

InChIKey

IRHTZOCLLONTOC-UHFFFAOYSA-N

Compound name

hexacosan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 62
References: 12203
Patents: 382.41748 Da
Monoisotopic Mass: 12.7
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]+	383.42476	211.8
[M+Na]+	405.40670	210.2
[M-H]-	381.41020	206.7
[M+NH4]+	400.45130	223.2
[M+K]+	421.38064	204.3
[M+H-H2O]+	365.41474	203.7
[M+HCOO]-	427.41568	227.6
[M+CH3COO]-	441.43133	226.4
[M+Na-2H]-	403.39215	207.7
[M]+	382.41693	220.2
[M]-	382.41803	220.2

Literature stripe

literature stripe

Patent stripe

patents stripe