CID 57509504

Dtxsid40904194

Structural Information

Molecular Formula
C20H30O4
SMILES
CC12CCCC(C1CCC3(C2=O)CC(CC3O)(C)C=C)(C)C(=O)O
InChI
InChI=1S/C20H30O4/c1-5-17(2)11-14(21)20(12-17)10-7-13-18(3,15(20)22)8-6-9-19(13,4)16(23)24/h5,13-14,21H,1,6-12H2,2-4H3,(H,23,24)
InChIKey
JSXYBZIRJXMIMK-UHFFFAOYSA-N
Compound name
4'-ethenyl-2'-hydroxy-1,4',4a-trimethyl-5-oxospiro[2,3,4,7,8,8a-hexahydronaphthalene-6,1'-cyclopentane]-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

334.21442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 178.5
[M+Na]+ 357.203638 185.0
[M-H]- 333.207144 181.4
[M+NH4]+ 352.248243 202.0
[M+K]+ 373.177578 180.1
[M+H-H2O]+ 317.211680 175.5
[M+HCOO]- 379.212621 188.2
[M+CH3COO]- 393.228271 206.2
[M+Na-2H]- 355.189086 178.8
[M]+ 334.21387142 173.0
[M]- 334.21496858 173.0
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