CID 24697228

2-[(3-methoxyphenyl)methoxy]propanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(C(=O)O)OCC1=CC(=CC=C1)OC
InChI
InChI=1S/C11H14O4/c1-8(11(12)13)15-7-9-4-3-5-10(6-9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
XWFWSKGMKJMPHJ-UHFFFAOYSA-N
Compound name
2-[(3-methoxyphenyl)methoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.7
[M+Na]+ 233.078418 151.4
[M-H]- 209.081924 147.0
[M+NH4]+ 228.123023 162.8
[M+K]+ 249.052358 150.6
[M+H-H2O]+ 193.086460 138.8
[M+HCOO]- 255.087401 166.3
[M+CH3COO]- 269.103051 184.9
[M+Na-2H]- 231.063866 148.3
[M]+ 210.08865142 147.7
[M]- 210.08974858 147.7
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

No patent data available for this compound.