CID 53407573

74444-73-8

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1CC(CC2=C1C=C(C=C2)Cl)(C(=O)O)N

InChI

InChI=1S/C11H12ClNO2/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9/h1-2,5H,3-4,6,13H2,(H,14,15)

InChIKey

ULPHLMBCRBDFDH-UHFFFAOYSA-N

Compound name

2-amino-6-chloro-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.05565 Da
Monoisotopic Mass: -0.6
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]+	226.062926	146.0
[M+Na]+	248.044868	154.3
[M-H]-	224.048374	148.7
[M+NH4]+	243.089473	167.0
[M+K]+	264.018808	149.6
[M+H-H2O]+	208.052910	142.0
[M+HCOO]-	270.053851	161.0
[M+CH3COO]-	284.069501	187.0
[M+Na-2H]-	246.030316	151.4
[M]+	225.05510142	143.8
[M]-	225.05619858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe