CID 76899933

2,3-diaminopyridine-4-carbonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=CN=C(C(=C1C#N)N)N
InChI
InChI=1S/C6H6N4/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,8H2,(H2,9,10)
InChIKey
SZHXAWMCDVOKTH-UHFFFAOYSA-N
Compound name
2,3-diaminopyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

134.05925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 128.2
[M+Na]+ 157.04847 138.4
[M-H]- 133.05197 129.7
[M+NH4]+ 152.09307 145.7
[M+K]+ 173.02241 136.1
[M+H-H2O]+ 117.05651 115.2
[M+HCOO]- 179.05745 149.1
[M+CH3COO]- 193.07310 189.6
[M+Na-2H]- 155.03392 134.3
[M]+ 134.05870 119.8
[M]- 134.05980 119.8
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