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

22
Patents

162.09055 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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