CID 12411

Tritriacontane

Structural Information

Molecular Formula

C₃₃H₆₈

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChIKey

SUJUOAZFECLBOA-UHFFFAOYSA-N

Compound name

tritriacontane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 13
References: 1180
Patents: 464.5321 Da
Monoisotopic Mass: 17.5
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]+	465.539376	238.3
[M+Na]+	487.521318	234.3
[M-H]-	463.524824	233.2
[M+NH4]+	482.565923	238.6
[M+K]+	503.495258	227.0
[M+H-H2O]+	447.529360	228.9
[M+HCOO]-	509.530301	253.0
[M+CH3COO]-	523.545951	247.7
[M+Na-2H]-	485.506766	231.0
[M]+	464.53155142	249.8
[M]-	464.53264858	249.8

Literature stripe

literature stripe

Patent stripe

patents stripe