CID 95868

6312-60-3

Structural Information

Molecular Formula
C6H8N6
SMILES
CNC1=C2C(=NC=N1)N(N=N2)C
InChI
InChI=1S/C6H8N6/c1-7-5-4-6(9-3-8-5)12(2)11-10-4/h3H,1-2H3,(H,7,8,9)
InChIKey
IYAFHGDUGDYIMK-UHFFFAOYSA-N
Compound name
N,3-dimethyltriazolo[4,5-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.08104 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.088316 133.1
[M+Na]+ 187.070258 145.5
[M-H]- 163.073764 132.2
[M+NH4]+ 182.114863 150.1
[M+K]+ 203.044198 142.4
[M+H-H2O]+ 147.078300 124.2
[M+HCOO]- 209.079241 155.0
[M+CH3COO]- 223.094891 146.5
[M+Na-2H]- 185.055706 143.1
[M]+ 164.08049142 135.6
[M]- 164.08158858 135.6
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