CID 545551

2-hexyl-1-octanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCCCC(CCCCCC)CO

InChI

InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3

InChIKey

QNMCWJOEQBZQHB-UHFFFAOYSA-N

Compound name

2-hexyloctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1396
Patents: 214.22966 Da
Monoisotopic Mass: 5.9
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]+	215.23694	157.3
[M+Na]+	237.21888	165.9
[M+NH4]+	232.26348	164.4
[M+K]+	253.19282	158.7
[M-H]-	213.22238	156.5
[M+Na-2H]-	235.20433	159.0
[M]+	214.22911	158.1
[M]-	214.23021	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe