CID 25841

13301-35-4

Structural Information

Molecular Formula
C5H6N6
SMILES
C(C#N)C1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H6N6/c6-2-1-3-9-4(7)11-5(8)10-3/h1H2,(H4,7,8,9,10,11)
InChIKey
CYAHRCOFGLBBLW-UHFFFAOYSA-N
Compound name
2-(4,6-diamino-1,3,5-triazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

150.0654 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 128.8
[M+Na]+ 173.05462 138.5
[M-H]- 149.05812 127.1
[M+NH4]+ 168.09922 142.9
[M+K]+ 189.02856 137.0
[M+H-H2O]+ 133.06266 113.9
[M+HCOO]- 195.06360 147.3
[M+CH3COO]- 209.07925 192.1
[M+Na-2H]- 171.04007 135.6
[M]+ 150.06485 120.7
[M]- 150.06595 120.7
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