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]+ 184.07167 134.6
[M+Na]+ 206.05361 146.9
[M-H]- 182.05711 135.1
[M+NH4]+ 201.09821 153.4
[M+K]+ 222.02755 144.1
[M+H-H2O]+ 166.06165 128.0
[M+HCOO]- 228.06259 154.5
[M+CH3COO]- 242.07824 178.2
[M+Na-2H]- 204.03906 140.0
[M]+ 183.06384 136.1
[M]- 183.06494 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.