CID 363431

Nsc628342

Structural Information

Molecular Formula
C12H14N2O4
SMILES
C1C(C(OC1N2C=CC3=C2C=CNC3=O)CO)O
InChI
InChI=1S/C12H14N2O4/c15-6-10-9(16)5-11(18-10)14-4-2-7-8(14)1-3-13-12(7)17/h1-4,9-11,15-16H,5-6H2,(H,13,17)
InChIKey
UALQFXHTDJTTDP-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrrolo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 152.0
[M+Na]+ 273.08457 161.9
[M-H]- 249.08807 155.1
[M+NH4]+ 268.12917 168.2
[M+K]+ 289.05851 158.3
[M+H-H2O]+ 233.09261 146.0
[M+HCOO]- 295.09355 169.9
[M+CH3COO]- 309.10920 164.2
[M+Na-2H]- 271.07002 154.4
[M]+ 250.09480 152.3
[M]- 250.09590 152.3
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.