CID 5271317

D-ribitol, 1,4-anhydro-1-c-phenyl-, (1s)-

Structural Information

Molecular Formula
C11H14O4
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H14O4/c12-6-8-9(13)10(14)11(15-8)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10-,11+/m1/s1
InChIKey
VXLIVGBVFGMEQD-DBIOUOCHSA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.0892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.0
[M+Na]+ 233.07842 151.1
[M-H]- 209.08192 147.8
[M+NH4]+ 228.12302 161.5
[M+K]+ 249.05236 148.9
[M+H-H2O]+ 193.08646 138.8
[M+HCOO]- 255.08740 162.7
[M+CH3COO]- 269.10305 177.9
[M+Na-2H]- 231.06387 146.9
[M]+ 210.08865 142.0
[M]- 210.08975 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe