CID 64962

Triazolopyrimidine

Structural Information

Molecular Formula
C4H3N5
SMILES
C1=NC=NC2=NNN=C21
InChI
InChI=1S/C4H3N5/c1-3-4(6-2-5-1)8-9-7-3/h1-2H,(H,5,6,7,8,9)
InChIKey
GIIGHSIIKVOWKZ-UHFFFAOYSA-N
Compound name
2H-triazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

22342
Patents

121.03885 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04613 119.8
[M+Na]+ 144.02807 131.6
[M-H]- 120.03157 117.0
[M+NH4]+ 139.07267 137.5
[M+K]+ 160.00201 128.4
[M+H-H2O]+ 104.03611 111.2
[M+HCOO]- 166.03705 139.8
[M+CH3COO]- 180.05270 133.2
[M+Na-2H]- 142.01352 131.4
[M]+ 121.03830 119.6
[M]- 121.03940 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe