CID 45089588

2551116-92-6

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CNC1=CC2=C(C=C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H11NO2/c1-13-11-5-4-8-6-10(12(14)15)3-2-9(8)7-11/h2-7,13H,1H3,(H,14,15)

InChIKey

WPSQRSXGEYLOJA-UHFFFAOYSA-N

Compound name

6-(methylamino)naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.07898 Da
Monoisotopic Mass: 3.3
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]+	202.08626	140.9
[M+Na]+	224.06820	149.0
[M-H]-	200.07170	144.6
[M+NH4]+	219.11280	160.3
[M+K]+	240.04214	145.6
[M+H-H2O]+	184.07624	135.0
[M+HCOO]-	246.07718	163.5
[M+CH3COO]-	260.09283	186.5
[M+Na-2H]-	222.05365	148.1
[M]+	201.07843	140.4
[M]-	201.07953	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe