CID 8182

Dodecane

Structural Information

Molecular Formula

C₁₂H₂₆

SMILES

CCCCCCCCCCCC

InChI

InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Compound name

dodecane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1858
References: 123853
Patents: 170.20345 Da
Monoisotopic Mass: 6.1
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]+	171.210726	146.1
[M+Na]+	193.192668	150.9
[M-H]-	169.196174	145.4
[M+NH4]+	188.237273	167.0
[M+K]+	209.166608	149.3
[M+H-H2O]+	153.200710	140.9
[M+HCOO]-	215.201651	168.0
[M+CH3COO]-	229.217301	185.7
[M+Na-2H]-	191.178116	150.1
[M]+	170.20290142	149.7
[M]-	170.20399858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe