CID 78384824

Dtxsid001099327

Structural Information

Molecular Formula
C22H32O6
SMILES
CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C
InChI
InChI=1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3
InChIKey
RLFYIIYBXGSPOM-UHFFFAOYSA-N
Compound name
(3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl) 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.21988 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22716 191.5
[M+Na]+ 415.20910 196.7
[M-H]- 391.21260 197.6
[M+NH4]+ 410.25370 210.6
[M+K]+ 431.18304 195.3
[M+H-H2O]+ 375.21714 189.1
[M+HCOO]- 437.21808 203.4
[M+CH3COO]- 451.23373 222.3
[M+Na-2H]- 413.19455 186.6
[M]+ 392.21933 193.1
[M]- 392.22043 193.1
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.