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]+ 165.08832 133.1
[M+Na]+ 187.07026 145.5
[M-H]- 163.07376 132.2
[M+NH4]+ 182.11486 150.1
[M+K]+ 203.04420 142.4
[M+H-H2O]+ 147.07830 124.2
[M+HCOO]- 209.07924 155.0
[M+CH3COO]- 223.09489 146.5
[M+Na-2H]- 185.05571 143.1
[M]+ 164.08049 135.6
[M]- 164.08159 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