CID 14191199

119626-47-0

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1(C2CCC34C(O3)C(C(=O)C=C4C2(CC(=O)C1O)C)(C)C=C)C
InChI
InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3
InChIKey
OYQREFBZDOJEAT-UHFFFAOYSA-N
Compound name
13-ethenyl-6-hydroxy-5,5,9,13-tetramethyl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-10-ene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 176.2
[M+Na]+ 353.17232 187.0
[M-H]- 329.17582 182.7
[M+NH4]+ 348.21692 194.2
[M+K]+ 369.14626 185.6
[M+H-H2O]+ 313.18036 172.0
[M+HCOO]- 375.18130 184.5
[M+CH3COO]- 389.19695 213.8
[M+Na-2H]- 351.15777 181.4
[M]+ 330.18255 180.0
[M]- 330.18365 180.0
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.