CID 131753064

[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] propanoate

Structural Information

Molecular Formula
C19H20O7
SMILES
CCC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
InChI
InChI=1S/C19H20O7/c1-5-13(21)24-17-15-12(23-18(17)19(3,4)26-10(2)20)8-6-11-7-9-14(22)25-16(11)15/h6-9,17-18H,5H2,1-4H3
InChIKey
YPBNKPNGOBYSJH-UHFFFAOYSA-N
Compound name
[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1209 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 180.0
[M+Na]+ 383.11012 188.4
[M-H]- 359.11362 187.2
[M+NH4]+ 378.15472 194.2
[M+K]+ 399.08406 189.3
[M+H-H2O]+ 343.11816 174.8
[M+HCOO]- 405.11910 196.5
[M+CH3COO]- 419.13475 215.5
[M+Na-2H]- 381.09557 184.1
[M]+ 360.12035 189.3
[M]- 360.12145 189.3
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.