CID 84681

14897-78-0

Structural Information

Molecular Formula
C11H14O5
SMILES
COC1=CC(=CC(=C1O)OC)CCC(=O)O
InChI
InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKey
BPPVOXVSMSXBEI-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

117
Patents

226.08412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 148.0
[M+Na]+ 249.07334 158.9
[M+NH4]+ 244.11794 153.9
[M+K]+ 265.04728 155.0
[M-H]- 225.07684 147.4
[M+Na-2H]- 247.05879 151.6
[M]+ 226.08357 149.1
[M]- 226.08467 149.1
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