CID 14186883

Lycopersiconolide

Structural Information

Molecular Formula
C22H34O4
SMILES
CC12CCC(CC1CCC3C2CCC4(C3CC5C4C(C(=O)O5)(C)O)C)O
InChI
InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3
InChIKey
OCPGSVYCKLXPSO-UHFFFAOYSA-N
Compound name
7,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 189.0
[M+Na]+ 385.23492 194.9
[M-H]- 361.23842 192.1
[M+NH4]+ 380.27952 212.3
[M+K]+ 401.20886 189.0
[M+H-H2O]+ 345.24296 184.6
[M+HCOO]- 407.24390 192.7
[M+CH3COO]- 421.25955 196.9
[M+Na-2H]- 383.22037 187.1
[M]+ 362.24515 182.5
[M]- 362.24625 182.5
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.