CID 23296328

188744-99-2

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C1=CC(=CN=C1)C2C(C(C(N2)CO)O)O
InChI
InChI=1S/C10H14N2O3/c13-5-7-9(14)10(15)8(12-7)6-2-1-3-11-4-6/h1-4,7-10,12-15H,5H2
InChIKey
YKQJXKWVPPIKJY-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-pyridin-3-ylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 146.5
[M+Na]+ 233.08967 153.5
[M-H]- 209.09317 145.5
[M+NH4]+ 228.13427 161.7
[M+K]+ 249.06361 149.0
[M+H-H2O]+ 193.09771 139.6
[M+HCOO]- 255.09865 162.0
[M+CH3COO]- 269.11430 175.8
[M+Na-2H]- 231.07512 148.1
[M]+ 210.09990 141.1
[M]- 210.10100 141.2
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.