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

literature stripe

Patent stripe

patents stripe