CID 129988406

1,1-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1(C2=C(C=C(C=C2)C(=O)O)C(=O)O1)C
InChI
InChI=1S/C11H10O4/c1-11(2)8-4-3-6(9(12)13)5-7(8)10(14)15-11/h3-5H,1-2H3,(H,12,13)
InChIKey
IFKUEVKGVZWNHV-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-oxo-2-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.3
[M+Na]+ 229.04712 149.7
[M-H]- 205.05062 144.2
[M+NH4]+ 224.09172 161.7
[M+K]+ 245.02106 148.5
[M+H-H2O]+ 189.05516 135.6
[M+HCOO]- 251.05610 160.2
[M+CH3COO]- 265.07175 183.0
[M+Na-2H]- 227.03257 145.0
[M]+ 206.05735 142.2
[M]- 206.05845 142.2
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

No patent data available for this compound.