CID 85977273

5,5-diethyltridecane

Structural Information

Molecular Formula

C₁₇H₃₆

SMILES

CCCCCCCCC(CC)(CC)CCCC

InChI

InChI=1S/C17H36/c1-5-9-11-12-13-14-16-17(7-3,8-4)15-10-6-2/h5-16H2,1-4H3

InChIKey

LDTSYLGSXJAMTG-UHFFFAOYSA-N

Compound name

5,5-diethyltridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.28171 Da
Monoisotopic Mass: 9.0
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]+	241.288986	169.0
[M+Na]+	263.270928	172.2
[M-H]-	239.274434	167.7
[M+NH4]+	258.315533	187.2
[M+K]+	279.244868	169.6
[M+H-H2O]+	223.278970	163.5
[M+HCOO]-	285.279911	187.7
[M+CH3COO]-	299.295561	201.1
[M+Na-2H]-	261.256376	170.9
[M]+	240.28116142	174.1
[M]-	240.28225858	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe