CID 688603

N-ethyl-n-isopropyl-p-phenylenediamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

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

InChIKey

HKGOSYWNUBEMMH-UHFFFAOYSA-N

Compound name

4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 341
Patents: 178.147 Da
Monoisotopic Mass: 2.5
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]+	179.15428	142.2
[M+Na]+	201.13622	147.9
[M-H]-	177.13972	146.7
[M+NH4]+	196.18082	162.3
[M+K]+	217.11016	147.0
[M+H-H2O]+	161.14426	135.6
[M+HCOO]-	223.14520	167.0
[M+CH3COO]-	237.16085	191.9
[M+Na-2H]-	199.12167	146.1
[M]+	178.14645	141.3
[M]-	178.14755	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe