CID 73939

92-98-8

Structural Information

Molecular Formula

C₁₃H₂₃N₂

SMILES

CCN(CC[N+](C)(C)C)C1=CC=CC=C1

InChI

InChI=1S/C13H23N2/c1-5-14(11-12-15(2,3)4)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3/q+1

InChIKey

GEXXZCQMJNFDHP-UHFFFAOYSA-N

Compound name

2-(N-ethylanilino)ethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 207.18613 Da
Monoisotopic Mass: 2.8
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]+	208.19341	147.7
[M+Na]+	230.17535	152.6
[M-H]-	206.17885	153.8
[M+NH4]+	225.21995	167.5
[M+K]+	246.14929	146.7
[M+H-H2O]+	190.18339	143.7
[M+HCOO]-	252.18433	173.0
[M+CH3COO]-	266.19998	193.2
[M+Na-2H]-	228.16080	157.1
[M]+	207.18558	148.6
[M]-	207.18668	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe