CID 3041521

2,6-xylidine, 4-ethoxy-

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCOC1=CC(=C(C(=C1)C)N)C

InChI

InChI=1S/C10H15NO/c1-4-12-9-5-7(2)10(11)8(3)6-9/h5-6H,4,11H2,1-3H3

InChIKey

YCSCBJRBINCWRA-UHFFFAOYSA-N

Compound name

4-ethoxy-2,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 165.11537 Da
Monoisotopic Mass: 2.3
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]+	166.12265	135.2
[M+Na]+	188.10459	144.2
[M-H]-	164.10809	139.2
[M+NH4]+	183.14919	156.2
[M+K]+	204.07853	142.2
[M+H-H2O]+	148.11263	129.7
[M+HCOO]-	210.11357	160.1
[M+CH3COO]-	224.12922	184.0
[M+Na-2H]-	186.09004	140.0
[M]+	165.11482	136.3
[M]-	165.11592	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe