CID 7061

N,n-diethylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCN(CC)C1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

GGSUCNLOZRCGPQ-UHFFFAOYSA-N

Compound name

N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 48
References: 63537
Patents: 149.12045 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]+	150.127726	132.5
[M+Na]+	172.109668	138.8
[M-H]-	148.113174	137.3
[M+NH4]+	167.154273	154.2
[M+K]+	188.083608	138.1
[M+H-H2O]+	132.117710	126.3
[M+HCOO]-	194.118651	158.3
[M+CH3COO]-	208.134301	182.8
[M+Na-2H]-	170.095116	139.8
[M]+	149.11990142	133.3
[M]-	149.12099858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe