CID 361591

Nsc624772

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=CC2=C(C=C1)OC=C2CCC(=O)O
InChI
InChI=1S/C12H12O4/c1-15-9-3-4-11-10(6-9)8(7-16-11)2-5-12(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)
InChIKey
VZPMUJFKNXHPCE-UHFFFAOYSA-N
Compound name
3-(5-methoxy-1-benzofuran-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.7
[M+Na]+ 243.06278 154.4
[M-H]- 219.06628 149.4
[M+NH4]+ 238.10738 164.3
[M+K]+ 259.03672 153.1
[M+H-H2O]+ 203.07082 139.5
[M+HCOO]- 265.07176 168.0
[M+CH3COO]- 279.08741 185.4
[M+Na-2H]- 241.04823 150.9
[M]+ 220.07301 150.6
[M]- 220.07411 150.6
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