CID 229014

5,7-dimethyltetrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H7N5
SMILES
CC1=CC(=NC2=NN=NN12)C
InChI
InChI=1S/C6H7N5/c1-4-3-5(2)11-6(7-4)8-9-10-11/h3H,1-2H3
InChIKey
PVVGAZYPSGZTKH-UHFFFAOYSA-N
Compound name
5,7-dimethyltetrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

149.07014 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.077416 129.5
[M+Na]+ 172.059358 142.8
[M-H]- 148.062864 128.5
[M+NH4]+ 167.103963 147.4
[M+K]+ 188.033298 139.8
[M+H-H2O]+ 132.067400 120.8
[M+HCOO]- 194.068341 150.3
[M+CH3COO]- 208.083991 143.4
[M+Na-2H]- 170.044806 138.8
[M]+ 149.06959142 132.6
[M]- 149.07068858 132.6
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

No patent data available for this compound.