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]+ 195.06518 138.9
[M+Na]+ 217.04712 145.8
[M-H]- 193.05062 141.5
[M+NH4]+ 212.09172 158.2
[M+K]+ 233.02106 144.9
[M+H-H2O]+ 177.05516 134.2
[M+HCOO]- 239.05610 157.4
[M+CH3COO]- 253.07175 177.3
[M+Na-2H]- 215.03257 143.3
[M]+ 194.05735 138.4
[M]- 194.05845 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