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]+ 331.190376 176.2
[M+Na]+ 353.172318 187.0
[M-H]- 329.175824 182.7
[M+NH4]+ 348.216923 194.2
[M+K]+ 369.146258 185.6
[M+H-H2O]+ 313.180360 172.0
[M+HCOO]- 375.181301 184.5
[M+CH3COO]- 389.196951 213.8
[M+Na-2H]- 351.157766 181.4
[M]+ 330.18255142 180.0
[M]- 330.18364858 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.