CID 6435346

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-prop-1-enyl-, (5-benzyl-3-furyl)methyl ester

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]+ 325.179826 173.9
[M+Na]+ 347.161768 183.2
[M-H]- 323.165274 185.2
[M+NH4]+ 342.206373 186.2
[M+K]+ 363.135708 180.1
[M+H-H2O]+ 307.169810 167.6
[M+HCOO]- 369.170751 195.8
[M+CH3COO]- 383.186401 210.4
[M+Na-2H]- 345.147216 175.4
[M]+ 324.17200142 181.6
[M]- 324.17309858 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.