CID 98974

Pentadecan-6-ol

Structural Information

Molecular Formula

C₁₅H₃₂O

SMILES

CCCCCCCCCC(CCCCC)O

InChI

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

InChIKey

RNZYPFVHWLRVPJ-UHFFFAOYSA-N

Compound name

pentadecan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 228.24532 Da
Monoisotopic Mass: 6.4
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	164.5
[M+Na]+	251.234538	167.4
[M-H]-	227.238044	161.8
[M+NH4]+	246.279143	182.2
[M+K]+	267.208478	164.8
[M+H-H2O]+	211.242580	158.7
[M+HCOO]-	273.243521	183.1
[M+CH3COO]-	287.259171	194.5
[M+Na-2H]-	249.219986	164.9
[M]+	228.24477142	168.1
[M]-	228.24586858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe