CID 57457805

Schembl1044256

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(CCCC2(C1CCC3(C2C/C=C\4/CCOC4=O)CO3)C)C
InChI
InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-
InChIKey
MBPTXJNHCBXMBP-RZNTYIFUSA-N
Compound name
(3Z)-3-[2-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)ethylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

318.21948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 178.2
[M+Na]+ 341.20870 189.6
[M+NH4]+ 336.25330 191.4
[M+K]+ 357.18264 180.9
[M-H]- 317.21220 191.9
[M+Na-2H]- 339.19415 186.2
[M]+ 318.21893 185.4
[M]- 318.22003 185.4
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

patents stripe