CID 73779

Propanenitrile, 3,3'-(methylimino)bis-

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CN(CCC#N)CCC#N

InChI

InChI=1S/C7H11N3/c1-10(6-2-4-8)7-3-5-9/h2-3,6-7H2,1H3

InChIKey

NPMCIHCQSNHBDX-UHFFFAOYSA-N

Compound name

3-[2-cyanoethyl(methyl)amino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 100
Patents: 137.09529 Da
Monoisotopic Mass: -0.4
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]+	138.102566	140.0
[M+Na]+	160.084508	148.1
[M-H]-	136.088014	142.9
[M+NH4]+	155.129113	154.6
[M+K]+	176.058448	148.0
[M+H-H2O]+	120.092550	125.4
[M+HCOO]-	182.093491	153.8
[M+CH3COO]-	196.109141	214.2
[M+Na-2H]-	158.069956	143.4
[M]+	137.09474142	133.4
[M]-	137.09583858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe