CID 16767894

2-[(2-aminoethyl)amino]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H10N4
SMILES
C1=CC(=C(N=C1)NCCN)C#N
InChI
InChI=1S/C8H10N4/c9-3-5-12-8-7(6-10)2-1-4-11-8/h1-2,4H,3,5,9H2,(H,11,12)
InChIKey
QTOHKXFRIXKYFU-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.09055 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 134.8
[M+Na]+ 185.07977 143.4
[M-H]- 161.08327 136.0
[M+NH4]+ 180.12437 151.3
[M+K]+ 201.05371 140.8
[M+H-H2O]+ 145.08781 121.1
[M+HCOO]- 207.08875 155.7
[M+CH3COO]- 221.10440 194.6
[M+Na-2H]- 183.06522 141.7
[M]+ 162.09000 127.6
[M]- 162.09110 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe