CID 96687

2-pentadecanol

Structural Information

Molecular Formula

C₁₅H₃₂O

SMILES

CCCCCCCCCCCCCC(C)O

InChI

InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3

InChIKey

ALVGHPMGQNBJRC-UHFFFAOYSA-N

Compound name

pentadecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 745
Patents: 228.24532 Da
Monoisotopic Mass: 6.7
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]+	229.25260	161.7
[M+Na]+	251.23454	170.2
[M+NH4]+	246.27914	168.6
[M+K]+	267.20848	162.7
[M-H]-	227.23804	160.8
[M+Na-2H]-	249.21999	163.1
[M]+	228.24477	162.5
[M]-	228.24587	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe