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]+ 321.133256 172.5
[M+Na]+ 343.115198 180.5
[M-H]- 319.118704 178.4
[M+NH4]+ 338.159803 188.6
[M+K]+ 359.089138 181.4
[M+H-H2O]+ 303.123240 166.6
[M+HCOO]- 365.124181 193.1
[M+CH3COO]- 379.139831 209.1
[M+Na-2H]- 341.100646 172.6
[M]+ 320.12543142 182.6
[M]- 320.12652858 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.