CID 84663850

77377-09-4

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 138.1
[M+Na]+ 215.06786 146.6
[M-H]- 191.07136 145.0
[M+NH4]+ 210.11246 161.2
[M+K]+ 231.04180 145.9
[M+H-H2O]+ 175.07590 134.4
[M+HCOO]- 237.07684 157.8
[M+CH3COO]- 251.09249 152.2
[M+Na-2H]- 213.05331 144.8
[M]+ 192.07809 137.5
[M]- 192.07919 137.5
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.