CID 6434382

(z)-2-(1-butenyl)-3,3-dimethylcyclopropanecarboxylic acid (5-benzyl-3-furyl)methyl ester

Structural Information

Molecular Formula
C22H26O3
SMILES
CC/C=C\[C@@H]1[C@@H](C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H26O3/c1-4-5-11-19-20(22(19,2)3)21(23)25-15-17-13-18(24-14-17)12-16-9-7-6-8-10-16/h5-11,13-14,19-20H,4,12,15H2,1-3H3/b11-5-/t19-,20-/m1/s1
InChIKey
SGZAKYANXDVQCI-OWFXXDGYSA-N
Compound name
(5-benzylfuran-3-yl)methyl (1S,3R)-3-[(Z)-but-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.1882 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 178.2
[M+Na]+ 361.17742 187.0
[M-H]- 337.18092 189.2
[M+NH4]+ 356.22202 189.9
[M+K]+ 377.15136 183.7
[M+H-H2O]+ 321.18546 171.6
[M+HCOO]- 383.18640 199.7
[M+CH3COO]- 397.20205 213.3
[M+Na-2H]- 359.16287 179.1
[M]+ 338.18765 186.2
[M]- 338.18875 186.2
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.