CID 5274344

D-ribitol, 1,4-anhydro-1-c-(3-methyl-2-pyridinyl)-, (1s)-

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC1=C(N=CC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H15NO4/c1-6-3-2-4-12-8(6)11-10(15)9(14)7(5-13)16-11/h2-4,7,9-11,13-15H,5H2,1H3/t7-,9-,10-,11+/m1/s1
InChIKey
AQDOROCTBINUIC-WKJUBOCMSA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(3-methylpyridin-2-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 148.7
[M+Na]+ 248.08933 156.6
[M-H]- 224.09283 151.4
[M+NH4]+ 243.13393 164.4
[M+K]+ 264.06327 154.4
[M+H-H2O]+ 208.09737 142.7
[M+HCOO]- 270.09831 166.0
[M+CH3COO]- 284.11396 181.9
[M+Na-2H]- 246.07478 150.6
[M]+ 225.09956 147.6
[M]- 225.10066 147.6
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.