CID 23872150

Megxp0_001842

Structural Information

Molecular Formula
C19H20O6
SMILES
C/C/1=C\[C@@H]2[C@@H]([C@H](CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
InChI
InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13?,14-,15+,16+/m1/s1
InChIKey
JMUOPRSXUVOHFE-SYAFJHLCSA-N
Compound name
[(3S,4R,8R,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.133256 174.0
[M+Na]+ 367.115198 181.9
[M-H]- 343.118704 177.2
[M+NH4]+ 362.159803 188.8
[M+K]+ 383.089138 181.4
[M+H-H2O]+ 327.123240 174.9
[M+HCOO]- 389.124181 188.0
[M+CH3COO]- 403.139831 210.9
[M+Na-2H]- 365.100646 171.3
[M]+ 344.12543142 175.7
[M]- 344.12652858 175.7
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.