CID 11107141

99282-79-8

Structural Information

Molecular Formula

C₉H₈ClNO₄

SMILES

C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O

InChI

InChI=1S/C9H8ClNO4/c10-5-1-2-6(9(14)15)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15)

InChIKey

UDXGKLGUAJLLCJ-UHFFFAOYSA-N

Compound name

2-(carboxymethylamino)-4-chlorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 229.01419 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.02147	144.7
[M+Na]+	252.00341	155.3
[M+NH4]+	247.04801	150.8
[M+K]+	267.97735	151.4
[M-H]-	228.00691	144.4
[M+Na-2H]-	249.98886	148.8
[M]+	229.01364	146.0
[M]-	229.01474	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe