CID 124202102

Trans-isoeugenol-o-glucuronide

Structural Information

Molecular Formula
C16H20O8
SMILES
C/C=C/C1=CC(=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC
InChI
InChI=1S/C16H20O8/c1-3-4-8-5-6-9(10(7-8)22-2)23-16-13(19)11(17)12(18)14(24-16)15(20)21/h3-7,11-14,16-19H,1-2H3,(H,20,21)/b4-3+/t11-,12-,13+,14-,16?/m0/s1
InChIKey
HBQGHTRBYUFZLV-MIJQFFSFSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.1158 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12308 174.9
[M+Na]+ 363.10502 180.6
[M-H]- 339.10852 177.1
[M+NH4]+ 358.14962 184.5
[M+K]+ 379.07896 179.3
[M+H-H2O]+ 323.11306 168.0
[M+HCOO]- 385.11400 188.1
[M+CH3COO]- 399.12965 204.0
[M+Na-2H]- 361.09047 173.4
[M]+ 340.11525 175.8
[M]- 340.11635 175.8
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

No patent data available for this compound.