CID 2815405

3-(2,3-dihydrobenzo[b]furan-5-yl)propanoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1COC2=C1C=C(C=C2)CCC(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
InChIKey
DPQFYUVHQLRVGR-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.9
[M+Na]+ 215.067858 147.3
[M-H]- 191.071364 143.7
[M+NH4]+ 210.112463 160.3
[M+K]+ 231.041798 145.9
[M+H-H2O]+ 175.075900 134.9
[M+HCOO]- 237.076841 160.5
[M+CH3COO]- 251.092491 179.7
[M+Na-2H]- 213.053306 145.4
[M]+ 192.07809142 140.8
[M]- 192.07918858 140.8
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