CID 37261

Schembl5933797

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-/m1/s1
InChIKey
SSUJIHXQXFBEJN-WOJBJXKFSA-N
Compound name
(5-benzylfuran-2-yl)methyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

338.1882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 183.0
[M+Na]+ 361.17742 196.7
[M+NH4]+ 356.22202 192.0
[M+K]+ 377.15136 191.1
[M-H]- 337.18092 195.3
[M+Na-2H]- 359.16287 192.5
[M]+ 338.18765 189.8
[M]- 338.18875 189.8
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