CID 3039591

Spiro(cyclohexane-1,2'-benzodioxole)-2-carboxylic acid

Structural Information

Molecular Formula
C13H14O4
SMILES
C1CCC2(C(C1)C(=O)O)OC3=CC=CC=C3O2
InChI
InChI=1S/C13H14O4/c14-12(15)9-5-3-4-8-13(9)16-10-6-1-2-7-11(10)17-13/h1-2,6-7,9H,3-5,8H2,(H,14,15)
InChIKey
LKNKIVWCSFCHCI-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 150.3
[M+Na]+ 257.07842 161.2
[M+NH4]+ 252.12302 160.2
[M+K]+ 273.05236 156.5
[M-H]- 233.08192 155.1
[M+Na-2H]- 255.06387 154.9
[M]+ 234.08865 153.2
[M]- 234.08975 153.2
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

patents stripe