CID 18745

Tetramethylsuccinonitrile

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC(C)(C#N)C(C)(C)C#N

InChI

InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3

InChIKey

ZVQXQPNJHRNGID-UHFFFAOYSA-N

Compound name

2,2,3,3-tetramethylbutanedinitrile

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 19
References: 3785
Patents: 136.10005 Da
Monoisotopic Mass: 1.5
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]+	137.10733	149.1
[M+Na]+	159.08927	157.9
[M-H]-	135.09277	151.8
[M+NH4]+	154.13387	163.7
[M+K]+	175.06321	157.5
[M+H-H2O]+	119.09731	135.7
[M+HCOO]-	181.09825	159.8
[M+CH3COO]-	195.11390	211.2
[M+Na-2H]-	157.07472	152.5
[M]+	136.09950	141.8
[M]-	136.10060	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe