CID 44257481

9-o-methylglyceofuran

Structural Information

Molecular Formula
C21H20O6
SMILES
CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)OC)O)O
InChI
InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3
InChIKey
XRYDGCQYNMEJEL-UHFFFAOYSA-N
Compound name
6-(2-hydroxypropan-2-yl)-17-methoxy-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-13-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 182.3
[M+Na]+ 391.11520 193.1
[M-H]- 367.11870 190.2
[M+NH4]+ 386.15980 199.4
[M+K]+ 407.08914 192.2
[M+H-H2O]+ 351.12324 178.7
[M+HCOO]- 413.12418 195.1
[M+CH3COO]- 427.13983 194.1
[M+Na-2H]- 389.10065 189.5
[M]+ 368.12543 190.4
[M]- 368.12653 190.4
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.