CID 114743526

2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1COC2=C1C=CC=C2C(C(=O)O)O
InChI
InChI=1S/C10H10O4/c11-8(10(12)13)7-3-1-2-6-4-5-14-9(6)7/h1-3,8,11H,4-5H2,(H,12,13)
InChIKey
KFVAAQHNCJDKAZ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.9
[M+Na]+ 217.047118 145.8
[M-H]- 193.050624 141.5
[M+NH4]+ 212.091723 158.2
[M+K]+ 233.021058 144.9
[M+H-H2O]+ 177.055160 134.2
[M+HCOO]- 239.056101 157.4
[M+CH3COO]- 253.071751 177.3
[M+Na-2H]- 215.032566 143.3
[M]+ 194.05735142 138.4
[M]- 194.05844858 138.4
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

patents stripe