CID 23643382

3-[(4-methoxyphenyl)methoxy]propanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC=C(C=C1)COCCC(=O)O
InChI
InChI=1S/C11H14O4/c1-14-10-4-2-9(3-5-10)8-15-7-6-11(12)13/h2-5H,6-8H2,1H3,(H,12,13)
InChIKey
GBHNOACOBCFCBY-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.6
[M+Na]+ 233.07842 151.5
[M-H]- 209.08192 146.8
[M+NH4]+ 228.12302 162.7
[M+K]+ 249.05236 150.2
[M+H-H2O]+ 193.08646 138.5
[M+HCOO]- 255.08740 167.1
[M+CH3COO]- 269.10305 184.0
[M+Na-2H]- 231.06387 149.4
[M]+ 210.08865 148.2
[M]- 210.08975 148.2
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