CID 3055899

Spiro(cyclopentane-1,1'(3'h)-isobenzofuran)-3'-one

Structural Information

Molecular Formula
C12H12O2
SMILES
C1CCC2(C1)C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C12H12O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKey
QKLSNEUUBSCPLL-UHFFFAOYSA-N
Compound name
spiro[2-benzofuran-3,1'-cyclopentane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

188.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 139.8
[M+Na]+ 211.07294 151.3
[M+NH4]+ 206.11754 151.4
[M+K]+ 227.04688 146.5
[M-H]- 187.07644 144.3
[M+Na-2H]- 209.05839 146.0
[M]+ 188.08317 142.8
[M]- 188.08427 142.8
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