CID 11369405

202460-48-8

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

C1=CC(=NC=C1C#N)NCCN

InChI

InChI=1S/C8H10N4/c9-3-4-11-8-2-1-7(5-10)6-12-8/h1-2,6H,3-4,9H2,(H,11,12)

InChIKey

NIUAJYOMWZYSQR-UHFFFAOYSA-N

Compound name

6-(2-aminoethylamino)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 162.09055 Da
Monoisotopic Mass: -0.1
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]+	163.097826	134.8
[M+Na]+	185.079768	143.4
[M-H]-	161.083274	136.0
[M+NH4]+	180.124373	151.3
[M+K]+	201.053708	140.8
[M+H-H2O]+	145.087810	121.1
[M+HCOO]-	207.088751	155.7
[M+CH3COO]-	221.104401	194.6
[M+Na-2H]-	183.065216	141.7
[M]+	162.09000142	127.6
[M]-	162.09109858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe