CID 703279

308295-17-2

Structural Information

Molecular Formula
C19H24O5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C(C)(C)C)C(=O)OC(C)C
InChI
InChI=1S/C19H24O5/c1-11(2)23-18(21)17-12(3)24-15-8-7-13(9-14(15)17)22-10-16(20)19(4,5)6/h7-9,11H,10H2,1-6H3
InChIKey
OSGLAOKZVGVMSI-UHFFFAOYSA-N
Compound name
propan-2-yl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16238 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16966 178.3
[M+Na]+ 355.15160 186.3
[M-H]- 331.15510 184.1
[M+NH4]+ 350.19620 194.3
[M+K]+ 371.12554 186.1
[M+H-H2O]+ 315.15964 172.9
[M+HCOO]- 377.16058 197.5
[M+CH3COO]- 391.17623 212.3
[M+Na-2H]- 353.13705 179.6
[M]+ 332.16183 187.9
[M]- 332.16293 187.9
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.