CID 3071537

Brn 5432394

Structural Information

Molecular Formula
C6H3N5O2
SMILES
C(#N)C(=C1NC(=O)NC(=O)N1)C#N
InChI
InChI=1S/C6H3N5O2/c7-1-3(2-8)4-9-5(12)11-6(13)10-4/h(H3,9,10,11,12,13)
InChIKey
FRBLSBQVVBMGHD-UHFFFAOYSA-N
Compound name
2-(4,6-dioxo-1,3,5-triazinan-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02867 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03595 147.2
[M+Na]+ 200.01789 154.5
[M-H]- 176.02139 144.3
[M+NH4]+ 195.06249 155.5
[M+K]+ 215.99183 152.0
[M+H-H2O]+ 160.02593 130.8
[M+HCOO]- 222.02687 152.3
[M+CH3COO]- 236.04252 207.5
[M+Na-2H]- 198.00334 147.6
[M]+ 177.02812 132.8
[M]- 177.02922 132.8
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

No patent data available for this compound.