CID 111280

O-tolyl-beta-d-glucoside

Structural Information

Molecular Formula
C13H18O6
SMILES
CC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O6/c1-7-4-2-3-5-8(7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey
ZMPMKKJITSCZNU-UJPOAAIJSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.11035 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11763 159.5
[M+Na]+ 293.09957 170.0
[M+NH4]+ 288.14417 165.1
[M+K]+ 309.07351 166.9
[M-H]- 269.10307 161.6
[M+Na-2H]- 291.08502 162.1
[M]+ 270.10980 161.3
[M]- 270.11090 161.3
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

patents stripe