CID 28471

17312-68-4

Structural Information

Molecular Formula

C₁₃H₂₈

SMILES

CCCCCCCC(C)(C)CCC

InChI

InChI=1S/C13H28/c1-5-7-8-9-10-12-13(3,4)11-6-2/h5-12H2,1-4H3

InChIKey

BXVZPIGCIFJGEI-UHFFFAOYSA-N

Compound name

4,4-dimethylundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 184.2191 Da
Monoisotopic Mass: 6.8
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	150.6
[M+Na]+	207.20832	155.5
[M-H]-	183.21182	150.1
[M+NH4]+	202.25292	171.1
[M+K]+	223.18226	153.9
[M+H-H2O]+	167.21636	145.9
[M+HCOO]-	229.21730	170.6
[M+CH3COO]-	243.23295	189.0
[M+Na-2H]-	205.19377	154.7
[M]+	184.21855	154.2
[M]-	184.21965	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe