CID 84663850

Spiro[1,3-benzodioxole-2,1'-cyclopentane]-6-ol

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CCC2(C1)OC3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C11H12O3/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11/h3-4,7,12H,1-2,5-6H2
InChIKey
LSRNDLVWXGANRZ-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.4
[M+Na]+ 215.06786 149.4
[M+NH4]+ 210.11246 149.3
[M+K]+ 231.04180 146.1
[M-H]- 191.07136 143.4
[M+Na-2H]- 213.05331 143.5
[M]+ 192.07809 141.5
[M]- 192.07919 141.5
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.