CID 6437918

Melilotic anhydride

Structural Information

Molecular Formula
C18H14O5
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)OC(=O)/C=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C18H14O5/c19-15-7-3-1-5-13(15)9-11-17(21)23-18(22)12-10-14-6-2-4-8-16(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKey
RRNUBUJUSVRJSQ-WGDLNXRISA-N
Compound name
[(E)-3-(2-hydroxyphenyl)prop-2-enoyl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 171.8
[M+Na]+ 333.07336 183.7
[M+NH4]+ 328.11796 176.8
[M+K]+ 349.04730 178.0
[M-H]- 309.07686 172.9
[M+Na-2H]- 331.05881 177.4
[M]+ 310.08359 173.4
[M]- 310.08469 173.4
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

patents stripe