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]+ 152.056686 128.2
[M+Na]+ 174.038628 141.7
[M-H]- 150.042134 126.2
[M+NH4]+ 169.083233 145.3
[M+K]+ 190.012568 137.9
[M+H-H2O]+ 134.046670 120.1
[M+HCOO]- 196.047611 148.3
[M+CH3COO]- 210.063261 141.8
[M+Na-2H]- 172.024076 137.6
[M]+ 151.04886142 129.9
[M]- 151.04995858 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