CID 135434856

Nicotinyldicyandiamide

Structural Information

Molecular Formula
C8H7N5O
SMILES
C1=CC(=CN=C1)C(=O)NC(=NC#N)N
InChI
InChI=1S/C8H7N5O/c9-5-12-8(10)13-7(14)6-2-1-3-11-4-6/h1-4H,(H3,10,12,13,14)
InChIKey
RYFQJJZHQDOUOI-UHFFFAOYSA-N
Compound name
N-(N'-cyanocarbamimidoyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.06506 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07234 144.5
[M+Na]+ 212.05428 151.7
[M-H]- 188.05778 146.6
[M+NH4]+ 207.09888 159.6
[M+K]+ 228.02822 150.4
[M+H-H2O]+ 172.06232 129.7
[M+HCOO]- 234.06326 166.1
[M+CH3COO]- 248.07891 200.6
[M+Na-2H]- 210.03973 149.9
[M]+ 189.06451 136.3
[M]- 189.06561 136.3
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

No patent data available for this compound.