CID 15200008

168628-97-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1CC(CC2=C1C=CC=C2O)(C(=O)O)N

InChI

InChI=1S/C11H13NO3/c12-11(10(14)15)5-4-7-2-1-3-9(13)8(7)6-11/h1-3,13H,4-6,12H2,(H,14,15)

InChIKey

MIZUUMRXJDZBJU-UHFFFAOYSA-N

Compound name

2-amino-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 207.08954 Da
Monoisotopic Mass: -1.6
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]+	208.096816	143.7
[M+Na]+	230.078758	150.7
[M-H]-	206.082264	145.2
[M+NH4]+	225.123363	163.8
[M+K]+	246.052698	147.6
[M+H-H2O]+	190.086800	138.9
[M+HCOO]-	252.087741	161.8
[M+CH3COO]-	266.103391	183.0
[M+Na-2H]-	228.064206	149.1
[M]+	207.08899142	139.1
[M]-	207.09008858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe