CID 3084890

1-decanol, 2-octyl-

Structural Information

Molecular Formula

C₁₈H₃₈O

SMILES

CCCCCCCCC(CCCCCCCC)CO

InChI

InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3

InChIKey

JYZLSYFPFQTNNO-UHFFFAOYSA-N

Compound name

2-octyldecan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3865
Patents: 270.29227 Da
Monoisotopic Mass: 8.1
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]+	271.29955	175.0
[M+Na]+	293.28149	182.8
[M+NH4]+	288.32609	181.4
[M+K]+	309.25543	174.6
[M-H]-	269.28499	173.9
[M+Na-2H]-	291.26694	175.6
[M]+	270.29172	175.6
[M]-	270.29282	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe