CID 264238

2941-36-8

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

InChI=1S/C11H18N2/c1-10(2,8-12)6-5-7-11(3,4)9-13/h5-7H2,1-4H3

InChIKey

HLHZNKFMAKWWSK-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethylheptanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 178.147 Da
Monoisotopic Mass: 2.7
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]+	179.154276	157.2
[M+Na]+	201.136218	165.2
[M-H]-	177.139724	159.6
[M+NH4]+	196.180823	170.8
[M+K]+	217.110158	164.3
[M+H-H2O]+	161.144260	143.5
[M+HCOO]-	223.145201	167.3
[M+CH3COO]-	237.160851	217.0
[M+Na-2H]-	199.121666	159.7
[M]+	178.14645142	150.6
[M]-	178.14754858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe