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

22
Patents

151.03818 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.045456 125.0
[M+Na]+ 174.027398 137.7
[M-H]- 150.030904 124.3
[M+NH4]+ 169.072003 144.1
[M+K]+ 190.001338 133.3
[M+H-H2O]+ 134.035440 118.5
[M+HCOO]- 196.036381 146.5
[M+CH3COO]- 210.052031 139.1
[M+Na-2H]- 172.012846 133.8
[M]+ 151.03763142 125.0
[M]- 151.03872858 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