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 189.9
[M+Na]+ 411.16256 196.8
[M+NH4]+ 406.20716 192.3
[M+K]+ 427.13650 195.5
[M-H]- 387.16606 189.5
[M+Na-2H]- 409.14801 188.9
[M]+ 388.17279 190.1
[M]- 388.17389 190.1
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.