CID 155821180

2445749-42-6

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CN1C(=O)C(=O)N2CC[C@H](C2=N1)O
InChI
InChI=1S/C7H9N3O3/c1-9-6(12)7(13)10-3-2-4(11)5(10)8-9/h4,11H,2-3H2,1H3/t4-/m1/s1
InChIKey
MPNPONGMMJRKPD-SCSAIBSYSA-N
Compound name
(8R)-8-hydroxy-2-methyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 134.6
[M+Na]+ 206.053608 146.9
[M-H]- 182.057114 135.1
[M+NH4]+ 201.098213 153.4
[M+K]+ 222.027548 144.1
[M+H-H2O]+ 166.061650 128.0
[M+HCOO]- 228.062591 154.5
[M+CH3COO]- 242.078241 178.2
[M+Na-2H]- 204.039056 140.0
[M]+ 183.06384142 136.1
[M]- 183.06493858 136.1
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.