CID 23428256

(1r,2s,12z,14s,15r,17s)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadec-12-en-4-one

Structural Information

Molecular Formula
C18H28O3
SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C\CCCCCCCC(=O)O1)O3
InChI
InChI=1S/C18H28O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h8,10,13-16,18H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15-,16-,18+/m0/s1
InChIKey
LGEIXYGSQMJMKE-RLHIQTTISA-N
Compound name
(1R,2S,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadec-12-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.20386 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 161.7
[M+Na]+ 315.19308 167.9
[M-H]- 291.19658 166.6
[M+NH4]+ 310.23768 171.2
[M+K]+ 331.16702 168.2
[M+H-H2O]+ 275.20112 160.4
[M+HCOO]- 337.20206 174.5
[M+CH3COO]- 351.21771 171.4
[M+Na-2H]- 313.17853 163.1
[M]+ 292.20331 159.4
[M]- 292.20441 159.4
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.