CID 453487

2-pyridine deriv.

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1=CC=NC(=C1)C2=C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H11NO3/c12-6-10-8(13)5-9(14-10)7-3-1-2-4-11-7/h1-5,8,10,12-13H,6H2/t8-,10+/m0/s1
InChIKey
HKBDOCYPVODRMK-WCBMZHEXSA-N
Compound name
(2R,3S)-2-(hydroxymethyl)-5-pyridin-2-yl-2,3-dihydrofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.9
[M+Na]+ 216.06312 147.1
[M-H]- 192.06662 142.8
[M+NH4]+ 211.10772 156.2
[M+K]+ 232.03706 145.2
[M+H-H2O]+ 176.07116 132.5
[M+HCOO]- 238.07210 159.4
[M+CH3COO]- 252.08775 176.2
[M+Na-2H]- 214.04857 144.1
[M]+ 193.07335 138.5
[M]- 193.07445 138.5
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.