CID 12754185

2,2-dimethylpentanenitrile

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CCCC(C)(C)C#N

InChI

InChI=1S/C7H13N/c1-4-5-7(2,3)6-8/h4-5H2,1-3H3

InChIKey

TZJQCUDHKUWEFU-UHFFFAOYSA-N

Compound name

2,2-dimethylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3812
Patents: 111.1048 Da
Monoisotopic Mass: 2.3
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]+	112.11208	124.7
[M+Na]+	134.09402	135.1
[M+NH4]+	129.13862	129.9
[M+K]+	150.06796	126.7
[M-H]-	110.09752	117.6
[M+Na-2H]-	132.07947	127.2
[M]+	111.10425	123.4
[M]-	111.10535	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe