CID 92247

1-pentacosanol

Structural Information

Molecular Formula

C₂₅H₅₂O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C25H52O/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/h26H,2-25H2,1H3

InChIKey

IACKKVBKKNJZGN-UHFFFAOYSA-N

Compound name

pentacosan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1336
Patents: 368.40182 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]+	369.40910	207.5
[M+Na]+	391.39104	206.4
[M-H]-	367.39454	202.7
[M+NH4]+	386.43564	219.5
[M+K]+	407.36498	200.7
[M+H-H2O]+	351.39908	199.6
[M+HCOO]-	413.40002	223.7
[M+CH3COO]-	427.41567	223.5
[M+Na-2H]-	389.37649	204.0
[M]+	368.40127	215.6
[M]-	368.40237	215.6

Literature stripe

literature stripe

Patent stripe

patents stripe