CID 185639

1-tetratriacontanol

Structural Information

Molecular Formula

C₃₄H₇₀O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3

InChIKey

OULAJFUGPPVRBK-UHFFFAOYSA-N

Compound name

tetratriacontan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 74780
Patents: 494.54266 Da
Monoisotopic Mass: 17.0
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]+	495.54994	245.1
[M+Na]+	517.53188	252.4
[M-H]-	493.53538	225.9
[M+NH4]+	512.57648	241.8
[M+K]+	533.50582	232.2
[M+H-H2O]+	477.53992	235.5
[M+HCOO]-	539.54086	255.8
[M+CH3COO]-	553.55651	249.5
[M+Na-2H]-	515.51733	236.9
[M]+	494.54211	248.3
[M]-	494.54321	248.3

Literature stripe

literature stripe

Patent stripe

patents stripe