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 144.8
[M+Na]+ 239.06786 155.4
[M-H]- 215.07136 150.9
[M+NH4]+ 234.11246 167.7
[M+K]+ 255.04180 152.9
[M+H-H2O]+ 199.07590 141.1
[M+HCOO]- 261.07684 166.7
[M+CH3COO]- 275.09249 159.3
[M+Na-2H]- 237.05331 149.1
[M]+ 216.07809 148.3
[M]- 216.07919 148.3
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.