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]+ 219.06518 143.8
[M+Na]+ 241.04712 156.1
[M-H]- 217.05062 151.6
[M+NH4]+ 236.09172 161.0
[M+K]+ 257.02106 153.5
[M+H-H2O]+ 201.05516 139.9
[M+HCOO]- 263.05610 163.6
[M+CH3COO]- 277.07175 188.1
[M+Na-2H]- 239.03257 149.6
[M]+ 218.05735 149.1
[M]- 218.05845 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.