CID 124707880

1823871-89-1

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC2(C1)C3=C(CO2)C=C(C=C3)O
InChI
InChI=1S/C11H12O2/c12-9-2-3-10-8(6-9)7-13-11(10)4-1-5-11/h2-3,6,12H,1,4-5,7H2
InChIKey
RGVKWPJRYIHDTD-UHFFFAOYSA-N
Compound name
spiro[3H-2-benzofuran-1,1'-cyclobutane]-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 129.0
[M+Na]+ 199.07294 136.5
[M-H]- 175.07644 135.5
[M+NH4]+ 194.11754 146.2
[M+K]+ 215.04688 137.5
[M+H-H2O]+ 159.08098 120.3
[M+HCOO]- 221.08192 148.6
[M+CH3COO]- 235.09757 142.9
[M+Na-2H]- 197.05839 137.2
[M]+ 176.08317 136.8
[M]- 176.08427 136.8
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.