CID 494647

Nsc628341

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2C=CN=C3)CO)O
InChI
InChI=1S/C12H14N2O3/c15-7-11-10(16)5-12(17-11)14-4-2-8-6-13-3-1-9(8)14/h1-4,6,10-12,15-16H,5,7H2/t10-,11+,12+/m0/s1
InChIKey
YEWRIVWHPQXYGF-QJPTWQEYSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrolo[3,2-c]pyridin-1-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 148.9
[M+Na]+ 257.08967 158.3
[M-H]- 233.09317 152.9
[M+NH4]+ 252.13427 166.3
[M+K]+ 273.06361 155.6
[M+H-H2O]+ 217.09771 142.4
[M+HCOO]- 279.09865 168.1
[M+CH3COO]- 293.11430 161.6
[M+Na-2H]- 255.07512 152.3
[M]+ 234.09990 149.9
[M]- 234.10100 149.9
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.