CID 9870397

1-eicosanol, 2-tetradecyl-

Structural Information

Molecular Formula

C₃₄H₇₀O

SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO

InChI

InChI=1S/C34H70O/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34(33-35)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3

InChIKey

HVTNWJPMARCVBP-UHFFFAOYSA-N

Compound name

2-tetradecylicosan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 337
Patents: 494.54266 Da
Monoisotopic Mass: 16.8
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]+	495.549936	246.9
[M+Na]+	517.531878	252.2
[M-H]-	493.535384	226.8
[M+NH4]+	512.576483	242.7
[M+K]+	533.505818	234.3
[M+H-H2O]+	477.539920	237.4
[M+HCOO]-	539.540861	252.8
[M+CH3COO]-	553.556511	250.1
[M+Na-2H]-	515.517326	237.4
[M]+	494.54211142	247.6
[M]-	494.54320858	247.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe