CID 3542461

313552-99-7

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCNCC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3

InChIKey

JPQUAUQJXYRDKM-UHFFFAOYSA-N

Compound name

4-(ethylaminomethyl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 25
Patents: 178.147 Da
Monoisotopic Mass: 1.8
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]+	179.15428	141.1
[M+Na]+	201.13622	147.0
[M-H]-	177.13972	146.0
[M+NH4]+	196.18082	161.5
[M+K]+	217.11016	146.0
[M+H-H2O]+	161.14426	134.4
[M+HCOO]-	223.14520	167.5
[M+CH3COO]-	237.16085	191.8
[M+Na-2H]-	199.12167	147.3
[M]+	178.14645	141.9
[M]-	178.14755	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe