CID 3676015

300674-26-4

Structural Information

Molecular Formula
C17H20O6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC(C)C(=O)OC)C(=O)OC(C)C
InChI
InChI=1S/C17H20O6/c1-9(2)21-17(19)15-10(3)23-14-7-6-12(8-13(14)15)22-11(4)16(18)20-5/h6-9,11H,1-5H3
InChIKey
INNNWTRXNLZXSS-UHFFFAOYSA-N
Compound name
propan-2-yl 5-(1-methoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13326 172.5
[M+Na]+ 343.11520 180.5
[M-H]- 319.11870 178.4
[M+NH4]+ 338.15980 188.6
[M+K]+ 359.08914 181.4
[M+H-H2O]+ 303.12324 166.6
[M+HCOO]- 365.12418 193.1
[M+CH3COO]- 379.13983 209.1
[M+Na-2H]- 341.10065 172.6
[M]+ 320.12543 182.6
[M]- 320.12653 182.6
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.