CID 25416

Np 238

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CN(C)CCOC(=O)CC1=CC=CC2=CC=CC=C21

InChI

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

InChIKey

WEJFOBVKLKEJQR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-naphthalen-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.14157 Da
Monoisotopic Mass: 3.1
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	160.1
[M+Na]+	280.130788	166.0
[M-H]-	256.134294	165.5
[M+NH4]+	275.175393	178.3
[M+K]+	296.104728	164.0
[M+H-H2O]+	240.138830	152.6
[M+HCOO]-	302.139771	183.4
[M+CH3COO]-	316.155421	202.6
[M+Na-2H]-	278.116236	165.4
[M]+	257.14102142	163.6
[M]-	257.14211858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.