CID 22287952

Tetradecyleicosanol

Structural Information

Molecular Formula

C₃₄H₇₀O

SMILES

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O

InChI

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

InChIKey

ICXHTGWDIYBLCR-UHFFFAOYSA-N

Compound name

tetratriacontan-15-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 264
Patents: 494.54266 Da
Monoisotopic Mass: 16.7
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	246.9
[M+Na]+	517.53188	252.2
[M-H]-	493.53538	226.8
[M+NH4]+	512.57648	242.7
[M+K]+	533.50582	234.3
[M+H-H2O]+	477.53992	237.4
[M+HCOO]-	539.54086	252.8
[M+CH3COO]-	553.55651	250.1
[M+Na-2H]-	515.51733	237.4
[M]+	494.54211	247.6
[M]-	494.54321	247.6

Literature stripe

literature stripe

Patent stripe

patents stripe