CID 6412837

7-methoxy-3h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

Structural Information

Molecular Formula
C5H6N6O
SMILES
COC1=NC(=NC2=NNN=C21)N
InChI
InChI=1S/C5H6N6O/c1-12-4-2-3(10-11-9-2)7-5(6)8-4/h1H3,(H3,6,7,8,9,10,11)
InChIKey
CNMGOSPCXFTKMT-UHFFFAOYSA-N
Compound name
7-methoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.0603 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06758 132.0
[M+Na]+ 189.04952 144.3
[M-H]- 165.05302 129.6
[M+NH4]+ 184.09412 147.9
[M+K]+ 205.02346 140.8
[M+H-H2O]+ 149.05756 123.6
[M+HCOO]- 211.05850 152.5
[M+CH3COO]- 225.07415 144.9
[M+Na-2H]- 187.03497 141.2
[M]+ 166.05975 132.8
[M]- 166.06085 132.8
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

No patent data available for this compound.