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

6
Patents

150.0654 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.072676 128.8
[M+Na]+ 173.054618 138.5
[M-H]- 149.058124 127.1
[M+NH4]+ 168.099223 142.9
[M+K]+ 189.028558 137.0
[M+H-H2O]+ 133.062660 113.9
[M+HCOO]- 195.063601 147.3
[M+CH3COO]- 209.079251 192.1
[M+Na-2H]- 171.040066 135.6
[M]+ 150.06485142 120.7
[M]- 150.06594858 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