CID 9971231

36418-96-9

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=C(C=C(C=C1)CCC(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H18O4/c1-20-15-9-7-13(8-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKey
SZORHBHYQVTEEP-UHFFFAOYSA-N
Compound name
3-(4-methoxy-3-phenylmethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 166.3
[M+Na]+ 309.10972 179.7
[M+NH4]+ 304.15432 173.4
[M+K]+ 325.08366 172.7
[M-H]- 285.11322 169.5
[M+Na-2H]- 307.09517 174.0
[M]+ 286.11995 169.1
[M]- 286.12105 169.1
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