CID 11830302

145295-99-4

Structural Information

Molecular Formula
C10H10O4
SMILES
C1CC2=C(C=CO2)C(=O)C1CC(=O)O
InChI
InChI=1S/C10H10O4/c11-9(12)5-6-1-2-8-7(10(6)13)3-4-14-8/h3-4,6H,1-2,5H2,(H,11,12)
InChIKey
PLMBFVOFAXJSSW-UHFFFAOYSA-N
Compound name
2-(4-oxo-6,7-dihydro-5H-1-benzofuran-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.8
[M+Na]+ 217.047118 145.7
[M-H]- 193.050624 141.7
[M+NH4]+ 212.091723 158.1
[M+K]+ 233.021058 144.7
[M+H-H2O]+ 177.055160 133.2
[M+HCOO]- 239.056101 157.6
[M+CH3COO]- 253.071751 179.6
[M+Na-2H]- 215.032566 142.4
[M]+ 194.05735142 138.1
[M]- 194.05844858 138.1
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.