CID 131753165

2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside

Structural Information

Molecular Formula
C18H28O9
SMILES
COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(CO2)O)O)O
InChI
InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3
InChIKey
OWQQMQRFNZHYAU-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17334 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18062 188.1
[M+Na]+ 411.16256 190.5
[M-H]- 387.16606 187.9
[M+NH4]+ 406.20716 194.6
[M+K]+ 427.13650 190.0
[M+H-H2O]+ 371.17060 180.1
[M+HCOO]- 433.17154 198.8
[M+CH3COO]- 447.18719 210.7
[M+Na-2H]- 409.14801 186.0
[M]+ 388.17279 190.3
[M]- 388.17389 190.3
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

No patent data available for this compound.