CID 3039590

50836-03-8

Structural Information

Molecular Formula
C12H12O4
SMILES
C1CC(C2(C1)OC3=CC=CC=C3O2)C(=O)O
InChI
InChI=1S/C12H12O4/c13-11(14)8-4-3-7-12(8)15-9-5-1-2-6-10(9)16-12/h1-2,5-6,8H,3-4,7H2,(H,13,14)
InChIKey
DFZSKVPVFMIDDX-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,2'-cyclopentane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 145.6
[M+Na]+ 243.06278 153.4
[M-H]- 219.06628 152.4
[M+NH4]+ 238.10738 167.3
[M+K]+ 259.03672 153.0
[M+H-H2O]+ 203.07082 141.9
[M+HCOO]- 265.07176 164.3
[M+CH3COO]- 279.08741 159.0
[M+Na-2H]- 241.04823 150.8
[M]+ 220.07301 145.5
[M]- 220.07411 145.5
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.