CID 521958

4-methyldodecane

Structural Information

Molecular Formula

C₁₃H₂₈

SMILES

CCCCCCCCC(C)CCC

InChI

InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3

InChIKey

UZTXSMATBUWDDZ-UHFFFAOYSA-N

Compound name

4-methyldodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 511
Patents: 184.2191 Da
Monoisotopic Mass: 7.0
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]+	185.22638	149.4
[M+Na]+	207.20832	159.3
[M+NH4]+	202.25292	157.6
[M+K]+	223.18226	151.4
[M-H]-	183.21182	149.7
[M+Na-2H]-	205.19377	152.5
[M]+	184.21855	150.8
[M]-	184.21965	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe