CID 155973512

2648869-84-3

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]+ 170.056016 130.9
[M+Na]+ 192.037958 142.2
[M-H]- 168.041464 129.8
[M+NH4]+ 187.082563 149.2
[M+K]+ 208.011898 138.8
[M+H-H2O]+ 152.046000 124.4
[M+HCOO]- 214.046941 149.6
[M+CH3COO]- 228.062591 171.5
[M+Na-2H]- 190.023406 137.0
[M]+ 169.04819142 129.8
[M]- 169.04928858 129.8
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.