CID 10888818

14209-32-6

Structural Information

Molecular Formula

C₁₀H₁₈N₄

SMILES

C(CCNCCC#N)CNCCC#N

InChI

InChI=1S/C10H18N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-4,7-10H2

InChIKey

VBZTYCGWACGYJD-UHFFFAOYSA-N

Compound name

3-[4-(2-cyanoethylamino)butylamino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.15315 Da
Monoisotopic Mass: -0.5
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]+	195.160426	150.7
[M+Na]+	217.142368	157.0
[M-H]-	193.145874	152.1
[M+NH4]+	212.186973	163.0
[M+K]+	233.116308	156.1
[M+H-H2O]+	177.150410	135.5
[M+HCOO]-	239.151351	164.0
[M+CH3COO]-	253.167001	220.9
[M+Na-2H]-	215.127816	153.5
[M]+	194.15260142	143.4
[M]-	194.15369858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe