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]+ 363.252976 189.0
[M+Na]+ 385.234918 194.9
[M-H]- 361.238424 192.1
[M+NH4]+ 380.279523 212.3
[M+K]+ 401.208858 189.0
[M+H-H2O]+ 345.242960 184.6
[M+HCOO]- 407.243901 192.7
[M+CH3COO]- 421.259551 196.9
[M+Na-2H]- 383.220366 187.1
[M]+ 362.24515142 182.5
[M]- 362.24624858 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.