CID 53746693

11-octyltricosane

Structural Information

Molecular Formula

C₃₁H₆₄

SMILES

CCCCCCCCCCCCC(CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C31H64/c1-4-7-10-13-16-18-19-21-24-27-30-31(28-25-22-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h31H,4-30H2,1-3H3

InChIKey

CYILFGOWMLYEBL-UHFFFAOYSA-N

Compound name

11-octyltricosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 436.5008 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]+	437.508076	231.5
[M+Na]+	459.490018	228.1
[M-H]-	435.493524	227.0
[M+NH4]+	454.534623	232.4
[M+K]+	475.463958	221.7
[M+H-H2O]+	419.498060	222.5
[M+HCOO]-	481.499001	243.6
[M+CH3COO]-	495.514651	242.6
[M+Na-2H]-	457.475466	223.9
[M]+	436.50025142	241.6
[M]-	436.50134858	241.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe