CID 135429978

Nsc629118

Structural Information

Molecular Formula
C5H5N5O2
SMILES
COC1=NC2=NNN=C2C(=O)N1
InChI
InChI=1S/C5H5N5O2/c1-12-5-6-3-2(4(11)7-5)8-10-9-3/h1H3,(H2,6,7,8,9,10,11)
InChIKey
WWNNSODNOOUDNI-UHFFFAOYSA-N
Compound name
5-methoxy-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04433 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05161 131.6
[M+Na]+ 190.03355 144.4
[M-H]- 166.03705 128.2
[M+NH4]+ 185.07815 147.2
[M+K]+ 206.00749 140.4
[M+H-H2O]+ 150.04159 123.6
[M+HCOO]- 212.04253 150.4
[M+CH3COO]- 226.05818 144.4
[M+Na-2H]- 188.01900 140.5
[M]+ 167.04378 132.8
[M]- 167.04488 132.8
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

No patent data available for this compound.