CID 13329527

Brn 5946929

Structural Information

Molecular Formula
C12H10O4
SMILES
CC(=O)C1=C(C2=C(C=C1)OC3(C2=O)CC3)O
InChI
InChI=1S/C12H10O4/c1-6(13)7-2-3-8-9(10(7)14)11(15)12(16-8)4-5-12/h2-3,14H,4-5H2,1H3
InChIKey
NVVSBLWWYCKZOU-UHFFFAOYSA-N
Compound name
5-acetyl-4-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 148.3
[M+Na]+ 241.04712 161.6
[M+NH4]+ 236.09172 158.3
[M+K]+ 257.02106 158.1
[M-H]- 217.05062 158.1
[M+Na-2H]- 239.03257 155.5
[M]+ 218.05735 154.2
[M]- 218.05845 154.2
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.