CID 798765

3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid

Structural Information

Molecular Formula
C14H14O4
SMILES
COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)O
InChI
InChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKey
ZKWNOAWLDSIWEE-UHFFFAOYSA-N
Compound name
3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2
Patents

246.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.096476 153.6
[M+Na]+ 269.078418 161.4
[M-H]- 245.081924 160.1
[M+NH4]+ 264.123023 170.7
[M+K]+ 285.052358 159.9
[M+H-H2O]+ 229.086460 147.2
[M+HCOO]- 291.087401 176.4
[M+CH3COO]- 305.103051 189.9
[M+Na-2H]- 267.063866 157.1
[M]+ 246.08865142 157.4
[M]- 246.08974858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe