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]+ 333.169656 178.3
[M+Na]+ 355.151598 186.3
[M-H]- 331.155104 184.1
[M+NH4]+ 350.196203 194.3
[M+K]+ 371.125538 186.1
[M+H-H2O]+ 315.159640 172.9
[M+HCOO]- 377.160581 197.5
[M+CH3COO]- 391.176231 212.3
[M+Na-2H]- 353.137046 179.6
[M]+ 332.16183142 187.9
[M]- 332.16292858 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.