CID 78280

4-(4-methoxyphenyl)butyric acid

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC=C(C=C1)CCCC(=O)O
InChI
InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChIKey
LZHMNCJMXQKSBY-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

754
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.2
[M+Na]+ 217.08352 154.0
[M+NH4]+ 212.12812 149.7
[M+K]+ 233.05746 148.2
[M-H]- 193.08702 143.1
[M+Na-2H]- 215.06897 147.8
[M]+ 194.09375 144.0
[M]- 194.09485 144.0
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