CID 28897446

3-[(5-chloro-2-methoxyphenyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
COC1=C(C=C(C=C1)Cl)NCCC(=O)O
InChI
InChI=1S/C10H12ClNO3/c1-15-9-3-2-7(11)6-8(9)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKey
CAWWTOFVLUQGQX-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyanilino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05057 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 146.5
[M+Na]+ 252.039788 154.7
[M-H]- 228.043294 149.0
[M+NH4]+ 247.084393 164.7
[M+K]+ 268.013728 151.1
[M+H-H2O]+ 212.047830 141.5
[M+HCOO]- 274.048771 165.6
[M+CH3COO]- 288.064421 188.9
[M+Na-2H]- 250.025236 150.9
[M]+ 229.05002142 149.9
[M]- 229.05111858 149.9
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.