CID 12737208

4-hydroxy-1h,2h-pyrrolo[1,2-d][1,2,4]triazin-1-one

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=CN2C(=C1)C(=O)NNC2=O
InChI
InChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)6(11)8-7-5/h1-3H,(H,7,10)(H,8,11)
InChIKey
VWKCMLFUVPXMBI-UHFFFAOYSA-N
Compound name
2,3-dihydropyrrolo[1,2-d][1,2,4]triazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

151.03818 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 125.0
[M+Na]+ 174.02740 137.7
[M-H]- 150.03090 124.3
[M+NH4]+ 169.07200 144.1
[M+K]+ 190.00134 133.3
[M+H-H2O]+ 134.03544 118.5
[M+HCOO]- 196.03638 146.5
[M+CH3COO]- 210.05203 139.1
[M+Na-2H]- 172.01285 133.8
[M]+ 151.03763 125.0
[M]- 151.03873 125.0
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