CID 35768

2,6,11-trimethyldodecane

Structural Information

Molecular Formula

C₁₅H₃₂

SMILES

CC(C)CCCCC(C)CCCC(C)C

InChI

InChI=1S/C15H32/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h13-15H,6-12H2,1-5H3

InChIKey

FONXOARHSFUBAN-UHFFFAOYSA-N

Compound name

2,6,11-trimethyldodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 212.2504 Da
Monoisotopic Mass: 7.5
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]+	213.25768	161.2
[M+Na]+	235.23962	164.1
[M-H]-	211.24312	160.2
[M+NH4]+	230.28422	180.2
[M+K]+	251.21356	162.9
[M+H-H2O]+	195.24766	155.7
[M+HCOO]-	257.24860	179.1
[M+CH3COO]-	271.26425	197.1
[M+Na-2H]-	233.22507	159.7
[M]+	212.24985	164.0
[M]-	212.25095	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe