CID 231128

N,n-diisopropylaminoacetonitrile

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

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

InChI

InChI=1S/C8H16N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,6H2,1-4H3

InChIKey

KRHUHTLKXFFVGB-UHFFFAOYSA-N

Compound name

2-[di(propan-2-yl)amino]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
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]+	141.138626	132.9
[M+Na]+	163.120568	140.0
[M-H]-	139.124074	134.8
[M+NH4]+	158.165173	152.8
[M+K]+	179.094508	141.1
[M+H-H2O]+	123.128610	121.1
[M+HCOO]-	185.129551	152.2
[M+CH3COO]-	199.145201	196.6
[M+Na-2H]-	161.106016	136.0
[M]+	140.13080142	129.0
[M]-	140.13189858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe