CID 29323

Nrdc 108

Structural Information

Molecular Formula
C20H24O3
SMILES
CC1(C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3
InChIKey
SSUHZYMJFMBVRM-UHFFFAOYSA-N
Compound name
(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

312.17255 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 168.8
[M+Na]+ 335.16177 178.9
[M-H]- 311.16527 180.6
[M+NH4]+ 330.20637 183.5
[M+K]+ 351.13571 177.6
[M+H-H2O]+ 295.16981 163.6
[M+HCOO]- 357.17075 190.5
[M+CH3COO]- 371.18640 208.6
[M+Na-2H]- 333.14722 172.1
[M]+ 312.17200 177.6
[M]- 312.17310 177.6
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