CID 135876278

20420-86-4

Structural Information

Molecular Formula
C5H5N5O
SMILES
CN1C2=C(C(=O)NC=N2)N=N1
InChI
InChI=1S/C5H5N5O/c1-10-4-3(8-9-10)5(11)7-2-6-4/h2H,1H3,(H,6,7,11)
InChIKey
BNVZNWHPIOKGRM-UHFFFAOYSA-N
Compound name
3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

151.04941 Da
Monoisotopic Mass

-0.9
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

No literature data available for this compound.

Patent stripe

patents stripe