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]+ 177.090996 129.0
[M+Na]+ 199.072938 136.5
[M-H]- 175.076444 135.5
[M+NH4]+ 194.117543 146.2
[M+K]+ 215.046878 137.5
[M+H-H2O]+ 159.080980 120.3
[M+HCOO]- 221.081921 148.6
[M+CH3COO]- 235.097571 142.9
[M+Na-2H]- 197.058386 137.2
[M]+ 176.08317142 136.8
[M]- 176.08426858 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.