CID 13329529

Brn 5946926

Structural Information

Molecular Formula
C12H10O4
SMILES
CC(=O)C1=C(C=C2C(=C1)C(=O)C3(O2)CC3)O
InChI
InChI=1S/C12H10O4/c1-6(13)7-4-8-10(5-9(7)14)16-12(2-3-12)11(8)15/h4-5,14H,2-3H2,1H3
InChIKey
PTSUDYIKPHIWSI-UHFFFAOYSA-N
Compound name
5-acetyl-6-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]+ 219.065176 143.8
[M+Na]+ 241.047118 156.1
[M-H]- 217.050624 151.6
[M+NH4]+ 236.091723 161.0
[M+K]+ 257.021058 153.5
[M+H-H2O]+ 201.055160 139.9
[M+HCOO]- 263.056101 163.6
[M+CH3COO]- 277.071751 188.1
[M+Na-2H]- 239.032566 149.6
[M]+ 218.05735142 149.1
[M]- 218.05844858 149.1
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.