CID 22889

1-naphthaleneacetic acid, alpha-(2-(dimethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CN(C)CCC(C1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-17(2)11-10-15(16(18)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11H2,1-2H3,(H,18,19)

InChIKey

BUUIFYJDAKNVJA-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-naphthalen-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.14157 Da
Monoisotopic Mass: 0.8
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]+	258.148846	160.2
[M+Na]+	280.130788	165.3
[M-H]-	256.134294	164.2
[M+NH4]+	275.175393	177.5
[M+K]+	296.104728	163.0
[M+H-H2O]+	240.138830	153.1
[M+HCOO]-	302.139771	180.9
[M+CH3COO]-	316.155421	201.7
[M+Na-2H]-	278.116236	163.9
[M]+	257.14102142	161.3
[M]-	257.14211858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe