CID 39659

5-benzyl-3-furylmethyl (-)-cis-chrysanthemate

Structural Information

Molecular Formula
C22H26O3
SMILES
CC(=C[C@H]1[C@H](C1(C)C)C(=O)OCC2=CC=C(O2)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H26O3/c1-15(2)12-19-20(22(19,3)4)21(23)24-14-18-11-10-17(25-18)13-16-8-6-5-7-9-16/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m0/s1
InChIKey
SSUJIHXQXFBEJN-PMACEKPBSA-N
Compound name
trans-(5-benzylfuran-2-yl)methyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.1882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.195476 177.4
[M+Na]+ 361.177418 185.9
[M-H]- 337.180924 188.5
[M+NH4]+ 356.222023 189.0
[M+K]+ 377.151358 183.0
[M+H-H2O]+ 321.185460 171.1
[M+HCOO]- 383.186401 198.0
[M+CH3COO]- 397.202051 214.1
[M+Na-2H]- 359.162866 177.3
[M]+ 338.18765142 184.9
[M]- 338.18874858 184.9
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

No patent data available for this compound.