CID 5281541

Fulvoplumierin

Structural Information

Molecular Formula
C14H12O4
SMILES
C/C=C/C=C/1\C=CC2=C1C(=O)OC=C2C(=O)OC
InChI
InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+
InChIKey
RFUJEBHESHKXKW-PRKJJMSOSA-N
Compound name
methyl (7E)-7-[(E)-but-2-enylidene]-1-oxocyclopenta[c]pyran-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

244.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 151.0
[M+Na]+ 267.06278 161.4
[M-H]- 243.06628 157.0
[M+NH4]+ 262.10738 170.7
[M+K]+ 283.03672 158.9
[M+H-H2O]+ 227.07082 145.9
[M+HCOO]- 289.07176 174.4
[M+CH3COO]- 303.08741 191.1
[M+Na-2H]- 265.04823 155.2
[M]+ 244.07301 156.2
[M]- 244.07411 156.2
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.