CID 135618622

2034-24-4

Structural Information

Molecular Formula
C6H7N5O3
SMILES
C(CO)N1C2=C(C(=O)NC(=O)N2)N=N1
InChI
InChI=1S/C6H7N5O3/c12-2-1-11-4-3(9-10-11)5(13)8-6(14)7-4/h12H,1-2H2,(H2,7,8,13,14)
InChIKey
WNQWENNHJHCAFS-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-4H-triazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05489 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06217 139.7
[M+Na]+ 220.04411 152.6
[M-H]- 196.04761 135.3
[M+NH4]+ 215.08871 153.5
[M+K]+ 236.01805 147.3
[M+H-H2O]+ 180.05215 131.9
[M+HCOO]- 242.05309 156.9
[M+CH3COO]- 256.06874 151.5
[M+Na-2H]- 218.02956 146.8
[M]+ 197.05434 140.5
[M]- 197.05544 140.5
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.