CID 14348967

57532-41-9

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CCC1=CC(=CC(=C1N)CC)Cl

InChI

InChI=1S/C10H14ClN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3

InChIKey

RLPKDPGRZGVHFM-UHFFFAOYSA-N

Compound name

4-chloro-2,6-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 183.08148 Da
Monoisotopic Mass: 3.5
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]+	184.088756	138.8
[M+Na]+	206.070698	148.6
[M-H]-	182.074204	142.5
[M+NH4]+	201.115303	160.0
[M+K]+	222.044638	144.1
[M+H-H2O]+	166.078740	134.4
[M+HCOO]-	228.079681	158.9
[M+CH3COO]-	242.095331	185.8
[M+Na-2H]-	204.056146	143.1
[M]+	183.08093142	140.5
[M]-	183.08202858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe