CID 28974156

721942-75-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CCC2=C(C1)C=CC(=C2N)C(=O)O

InChI

InChI=1S/C11H13NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h5-6H,1-4,12H2,(H,13,14)

InChIKey

LCYMLDFOKUHXHB-UHFFFAOYSA-N

Compound name

1-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 Da
Monoisotopic Mass: 2.7
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]+	192.101916	139.7
[M+Na]+	214.083858	146.2
[M-H]-	190.087364	142.2
[M+NH4]+	209.128463	159.1
[M+K]+	230.057798	143.1
[M+H-H2O]+	174.091900	134.1
[M+HCOO]-	236.092841	159.1
[M+CH3COO]-	250.108491	183.6
[M+Na-2H]-	212.069306	144.4
[M]+	191.09409142	135.0
[M]-	191.09518858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe