CID 131752679

Syringin methyl ether

Structural Information

Molecular Formula
C18H26O9
SMILES
COC/C=C\C1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI
InChI=1S/C18H26O9/c1-23-6-4-5-10-7-11(24-2)17(12(8-10)25-3)27-18-16(22)15(21)14(20)13(9-19)26-18/h4-5,7-8,13-16,18-22H,6,9H2,1-3H3/b5-4-
InChIKey
KDZYNPVXUQIVAO-PLNGDYQASA-N
Compound name
2-[2,6-dimethoxy-4-[(Z)-3-methoxyprop-1-enyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15768 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16496 189.0
[M+Na]+ 409.14690 197.7
[M+NH4]+ 404.19150 191.7
[M+K]+ 425.12084 195.4
[M-H]- 385.15040 189.2
[M+Na-2H]- 407.13235 188.4
[M]+ 386.15713 189.8
[M]- 386.15823 189.8
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.