CID 28459

2,2-dimethyldecane

Structural Information

Molecular Formula

C₁₂H₂₆

SMILES

CCCCCCCCC(C)(C)C

InChI

InChI=1S/C12H26/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3

InChIKey

WBWYXWILSHQILH-UHFFFAOYSA-N

Compound name

2,2-dimethyldecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1344
Patents: 170.20345 Da
Monoisotopic Mass: 6.3
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	151.5
[M-H]-	169.196174	145.9
[M+NH4]+	188.237273	167.3
[M+K]+	209.166608	150.3
[M+H-H2O]+	153.200710	141.7
[M+HCOO]-	215.201651	166.5
[M+CH3COO]-	229.217301	185.3
[M+Na-2H]-	191.178116	150.8
[M]+	170.20290142	149.3
[M]-	170.20399858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe