CID 24255

1,3,5-triazine-2,4,6-tricarbonitrile

Structural Information

Molecular Formula
C6N6
SMILES
C(#N)C1=NC(=NC(=N1)C#N)C#N
InChI
InChI=1S/C6N6/c7-1-4-10-5(2-8)12-6(3-9)11-4
InChIKey
ZZJREAPISLZYCW-UHFFFAOYSA-N
Compound name
1,3,5-triazine-2,4,6-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

156.01845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02573 151.2
[M+Na]+ 179.00767 158.1
[M-H]- 155.01117 152.2
[M+NH4]+ 174.05227 157.2
[M+K]+ 194.98161 157.0
[M+H-H2O]+ 139.01571 136.4
[M+HCOO]- 201.01665 155.5
[M+CH3COO]- 215.03230 154.4
[M+Na-2H]- 176.99312 151.6
[M]+ 156.01790 142.9
[M]- 156.01900 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe