CID 6435346

Nrdc 133

Structural Information

Molecular Formula
C21H24O3
SMILES
C/C=C/C1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H24O3/c1-4-8-18-19(21(18,2)3)20(22)24-14-16-12-17(23-13-16)11-15-9-6-5-7-10-15/h4-10,12-13,18-19H,11,14H2,1-3H3/b8-4+
InChIKey
PRHPMTLHCZLPBQ-XBXARRHUSA-N
Compound name
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17983 173.9
[M+Na]+ 347.16177 183.2
[M-H]- 323.16527 185.2
[M+NH4]+ 342.20637 186.2
[M+K]+ 363.13571 180.1
[M+H-H2O]+ 307.16981 167.6
[M+HCOO]- 369.17075 195.8
[M+CH3COO]- 383.18640 210.4
[M+Na-2H]- 345.14722 175.4
[M]+ 324.17200 181.6
[M]- 324.17310 181.6
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

No patent data available for this compound.