CID 85257985

Chebi:168101

Structural Information

Molecular Formula
C15H22O8
SMILES
CC(C(C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C15H22O8/c1-7(17)11(18)8-2-4-9(5-3-8)22-15-14(21)13(20)12(19)10(6-16)23-15/h2-5,7,10-21H,6H2,1H3
InChIKey
IVGOVXXPQSIWEF-UHFFFAOYSA-N
Compound name
2-[4-(1,2-dihydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13147 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13875 173.9
[M+Na]+ 353.12069 177.3
[M-H]- 329.12419 173.1
[M+NH4]+ 348.16529 182.1
[M+K]+ 369.09463 176.4
[M+H-H2O]+ 313.12873 167.2
[M+HCOO]- 375.12967 182.9
[M+CH3COO]- 389.14532 198.7
[M+Na-2H]- 351.10614 171.3
[M]+ 330.13092 171.2
[M]- 330.13202 171.2
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.