CID 12397

1-pentadecanol

Structural Information

Molecular Formula

C₁₅H₃₂O

SMILES

CCCCCCCCCCCCCCCO

InChI

InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3

InChIKey

REIUXOLGHVXAEO-UHFFFAOYSA-N

Compound name

pentadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 14
References: 22691
Patents: 228.24532 Da
Monoisotopic Mass: 6.8
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]+	229.252596	163.6
[M+Na]+	251.234538	166.7
[M-H]-	227.238044	160.8
[M+NH4]+	246.279143	181.3
[M+K]+	267.208478	163.7
[M+H-H2O]+	211.242580	157.7
[M+HCOO]-	273.243521	183.2
[M+CH3COO]-	287.259171	193.8
[M+Na-2H]-	249.219986	165.4
[M]+	228.24477142	167.9
[M]-	228.24586858	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe