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]+ 150.07742 129.5
[M+Na]+ 172.05936 142.8
[M-H]- 148.06286 128.5
[M+NH4]+ 167.10396 147.4
[M+K]+ 188.03330 139.8
[M+H-H2O]+ 132.06740 120.8
[M+HCOO]- 194.06834 150.3
[M+CH3COO]- 208.08399 143.4
[M+Na-2H]- 170.04481 138.8
[M]+ 149.06959 132.6
[M]- 149.07069 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.