CID 24264920

2-[(4-chlorophenyl)methyl]-3-methoxypropanoic acid

Structural Information

Molecular Formula
C11H13ClO3
SMILES
COCC(CC1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C11H13ClO3/c1-15-7-9(11(13)14)6-8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKey
OYFIZMCQNZQEHU-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05533 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06261 147.1
[M+Na]+ 251.04455 159.3
[M+NH4]+ 246.08915 154.7
[M+K]+ 267.01849 153.6
[M-H]- 227.04805 147.9
[M+Na-2H]- 249.03000 152.6
[M]+ 228.05478 149.2
[M]- 228.05588 149.2
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

No patent data available for this compound.