CID 94541

38264-80-1

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CCN(CCOC)C1=CC(=C(C=C1)N)C

InChI

InChI=1S/C12H20N2O/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11/h5-6,9H,4,7-8,13H2,1-3H3

InChIKey

FFAJEKUNEVVYCW-UHFFFAOYSA-N

Compound name

4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8293
Patents: 208.15756 Da
Monoisotopic Mass: 1.9
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]+	209.164836	149.2
[M+Na]+	231.146778	155.6
[M-H]-	207.150284	153.8
[M+NH4]+	226.191383	168.5
[M+K]+	247.120718	154.5
[M+H-H2O]+	191.154820	142.3
[M+HCOO]-	253.155761	174.9
[M+CH3COO]-	267.171411	197.3
[M+Na-2H]-	229.132226	153.1
[M]+	208.15701142	151.2
[M]-	208.15810858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe