CID 246914

5-methyltetrazolo[1,5-a]pyrimidin-7-ol

Structural Information

Molecular Formula
C5H5N5O
SMILES
CC1=CC(=O)N2C(=N1)N=NN2
InChI
InChI=1S/C5H5N5O/c1-3-2-4(11)10-5(6-3)7-8-9-10/h2H,1H3,(H,6,7,9)
InChIKey
DYRVJGSNWSXGLT-UHFFFAOYSA-N
Compound name
5-methyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

151
Patents

151.04941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 128.2
[M+Na]+ 174.03863 141.7
[M-H]- 150.04213 126.2
[M+NH4]+ 169.08323 145.3
[M+K]+ 190.01257 137.9
[M+H-H2O]+ 134.04667 120.1
[M+HCOO]- 196.04761 148.3
[M+CH3COO]- 210.06326 141.8
[M+Na-2H]- 172.02408 137.6
[M]+ 151.04886 129.9
[M]- 151.04996 129.9
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