CID 87442

Dipropylaminoacetonitrile

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCCN(CCC)CC#N

InChI

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

InChIKey

ZFQYTSCUGODUDB-UHFFFAOYSA-N

Compound name

2-(dipropylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 140.13135 Da
Monoisotopic Mass: 1.8
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	130.1
[M+Na]+	163.120568	137.7
[M-H]-	139.124074	131.9
[M+NH4]+	158.165173	150.1
[M+K]+	179.094508	138.0
[M+H-H2O]+	123.128610	118.3
[M+HCOO]-	185.129551	151.2
[M+CH3COO]-	199.145201	195.1
[M+Na-2H]-	161.106016	135.7
[M]+	140.13080142	127.5
[M]-	140.13189858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe