CID 155973512

(7s)-7-hydroxy-2h,3h,4h,6h,7h,8h-pyrrolo[2,1-c][1,2,4]triazine-3,4-dione

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1[C@@H](CN2C1=NNC(=O)C2=O)O
InChI
InChI=1S/C6H7N3O3/c10-3-1-4-7-8-5(11)6(12)9(4)2-3/h3,10H,1-2H2,(H,8,11)/t3-/m0/s1
InChIKey
WOIIHRFPLGVNTM-VKHMYHEASA-N
Compound name
(7S)-7-hydroxy-2,6,7,8-tetrahydropyrrolo[2,1-c][1,2,4]triazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 132.1
[M+Na]+ 192.03796 143.7
[M+NH4]+ 187.08256 138.2
[M+K]+ 208.01190 141.6
[M-H]- 168.04146 130.2
[M+Na-2H]- 190.02341 135.3
[M]+ 169.04819 132.8
[M]- 169.04929 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.