CID 43154950

3-methyl-5h,6h,7h-indeno[5,6-b]furan-2-carboxylic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
CC1=C(OC2=C1C=C3CCCC3=C2)C(=O)O
InChI
InChI=1S/C13H12O3/c1-7-10-5-8-3-2-4-9(8)6-11(10)16-12(7)13(14)15/h5-6H,2-4H2,1H3,(H,14,15)
InChIKey
GIVVPLHXRBEWET-UHFFFAOYSA-N
Compound name
3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 143.8
[M+Na]+ 239.06786 156.1
[M+NH4]+ 234.11246 152.9
[M+K]+ 255.04180 154.3
[M-H]- 215.07136 146.7
[M+Na-2H]- 237.05331 147.2
[M]+ 216.07809 146.3
[M]- 216.07919 146.3
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.