CID 42608262

17,18-epoxy-8,10,13(15)-lobatriene

Structural Information

Molecular Formula
C20H32O
SMILES
CC(=C)[C@H]1C[C@H](CC[C@]1(C)C=C)/C(=C/C[C@@H]2C(O2)(C)C)/C
InChI
InChI=1S/C20H32O/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18-19(5,6)21-18/h8-9,16-18H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1
InChIKey
PLMPUHCOGGTVIR-JZXJGBJOSA-N
Compound name
(3R)-3-[(E)-3-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]but-2-enyl]-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

288.24533 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 167.2
[M+Na]+ 311.23455 173.7
[M-H]- 287.23805 174.6
[M+NH4]+ 306.27915 181.3
[M+K]+ 327.20849 172.0
[M+H-H2O]+ 271.24259 162.7
[M+HCOO]- 333.24353 181.5
[M+CH3COO]- 347.25918 209.4
[M+Na-2H]- 309.22000 166.9
[M]+ 288.24478 169.0
[M]- 288.24588 169.0
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

patents stripe