CID 6391814

Schembl9983537

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1=CC(OC1=O)O/C=C/2\C3CC4=C(C3OC2=O)C(CCC4O)(C)C
InChI
InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+
InChIKey
VOFXXOPWCBSPAA-XYOKQWHBSA-N
Compound name
(3E)-5-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

346.14163 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 177.7
[M+Na]+ 369.13085 186.6
[M-H]- 345.13435 186.9
[M+NH4]+ 364.17545 197.6
[M+K]+ 385.10479 184.3
[M+H-H2O]+ 329.13889 176.4
[M+HCOO]- 391.13983 193.0
[M+CH3COO]- 405.15548 210.7
[M+Na-2H]- 367.11630 175.4
[M]+ 346.14108 180.6
[M]- 346.14218 180.6
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

patents stripe