CID 14237629

Threo-syringoylglycerol

Structural Information

Molecular Formula
C11H16O6
SMILES
COC1=CC(=CC(=C1O)OC)C(C(CO)O)O
InChI
InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3
InChIKey
GIZSHQYTTBQKOQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1143
Patents

244.09468 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10196 151.9
[M+Na]+ 267.08390 158.4
[M-H]- 243.08740 150.6
[M+NH4]+ 262.12850 166.8
[M+K]+ 283.05784 157.1
[M+H-H2O]+ 227.09194 146.4
[M+HCOO]- 289.09288 168.9
[M+CH3COO]- 303.10853 185.5
[M+Na-2H]- 265.06935 152.6
[M]+ 244.09413 153.6
[M]- 244.09523 153.6
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

patents stripe