CID 25421

Japothrins

Structural Information

Molecular Formula
C18H24O3
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC=C(O2)CC=C)C
InChI
InChI=1S/C18H24O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h6,8-10,15-16H,1,7,11H2,2-5H3
InChIKey
QVDCSEPAJNGCBF-UHFFFAOYSA-N
Compound name
(5-prop-2-enylfuran-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

543
Patents

288.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.179826 165.3
[M+Na]+ 311.161768 174.6
[M-H]- 287.165274 173.7
[M+NH4]+ 306.206373 179.3
[M+K]+ 327.135708 171.8
[M+H-H2O]+ 271.169810 160.5
[M+HCOO]- 333.170751 185.7
[M+CH3COO]- 347.186401 206.1
[M+Na-2H]- 309.147216 165.5
[M]+ 288.17200142 173.4
[M]- 288.17309858 173.4
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

patents stripe