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 187.0
[M+Na]+ 409.14690 192.4
[M-H]- 385.15040 189.1
[M+NH4]+ 404.19150 195.0
[M+K]+ 425.12084 191.6
[M+H-H2O]+ 369.15494 179.3
[M+HCOO]- 431.15588 200.4
[M+CH3COO]- 445.17153 213.4
[M+Na-2H]- 407.13235 185.3
[M]+ 386.15713 191.8
[M]- 386.15823 191.8
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.