CID 67364

148-71-0

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3

InChIKey

XBTWVJKPQPQTDW-UHFFFAOYSA-N

Compound name

4-N,4-N-diethyl-2-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 26
References: 14640
Patents: 178.147 Da
Monoisotopic Mass: 2.1
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	141.4
[M+Na]+	201.13622	148.3
[M-H]-	177.13972	146.2
[M+NH4]+	196.18082	161.9
[M+K]+	217.11016	146.9
[M+H-H2O]+	161.14426	135.0
[M+HCOO]-	223.14520	167.2
[M+CH3COO]-	237.16085	192.2
[M+Na-2H]-	199.12167	145.8
[M]+	178.14645	141.5
[M]-	178.14755	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe