CID 146155322

2416218-76-1

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1CN2C(=NNC(=O)C2=O)[C@H]1O
InChI
InChI=1S/C6H7N3O3/c10-3-1-2-9-4(3)7-8-5(11)6(9)12/h3,10H,1-2H2,(H,8,11)/t3-/m0/s1
InChIKey
CENHVJSBNKIWGC-VKHMYHEASA-N
Compound name
(8S)-8-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

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 130.9
[M+Na]+ 192.03796 142.2
[M-H]- 168.04146 129.8
[M+NH4]+ 187.08256 149.2
[M+K]+ 208.01190 138.8
[M+H-H2O]+ 152.04600 124.4
[M+HCOO]- 214.04694 149.6
[M+CH3COO]- 228.06259 171.5
[M+Na-2H]- 190.02341 137.0
[M]+ 169.04819 129.8
[M]- 169.04929 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.