CID 66336

3-(3-methoxyphenyl)propionic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
COC1=CC=CC(=C1)CCC(=O)O
InChI
InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey
BJJQJLOZWBZEGA-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

582
Patents

180.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.7
[M+Na]+ 203.06786 149.7
[M+NH4]+ 198.11246 145.4
[M+K]+ 219.04180 144.1
[M-H]- 179.07136 138.7
[M+Na-2H]- 201.05331 143.6
[M]+ 180.07809 139.5
[M]- 180.07919 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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