CID 6453656

Heptanenitrile, 2-amino-2-methyl-

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCCCCC(C)(C#N)N

InChI

InChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3

InChIKey

RCJOBLVEKCLVPT-UHFFFAOYSA-N

Compound name

2-amino-2-methylheptanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 140.13135 Da
Monoisotopic Mass: 1.6
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]+	141.13863	134.2
[M+Na]+	163.12057	142.9
[M+NH4]+	158.16517	138.5
[M+K]+	179.09451	134.8
[M-H]-	139.12407	127.0
[M+Na-2H]-	161.10602	135.5
[M]+	140.13080	132.4
[M]-	140.13190	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe