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]+ 230.05785 146.5
[M+Na]+ 252.03979 154.7
[M-H]- 228.04329 149.0
[M+NH4]+ 247.08439 164.7
[M+K]+ 268.01373 151.1
[M+H-H2O]+ 212.04783 141.5
[M+HCOO]- 274.04877 165.6
[M+CH3COO]- 288.06442 188.9
[M+Na-2H]- 250.02524 150.9
[M]+ 229.05002 149.9
[M]- 229.05112 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.