CID 3832566

858523-65-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CNC(CN(C)C)C1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-12-11(9-13(2)3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3

InChIKey

MKQJYCPIRLKEPN-UHFFFAOYSA-N

Compound name

N,N',N'-trimethyl-1-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 178.147 Da
Monoisotopic Mass: 1.4
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	153.0
[M+NH4]+	196.18082	151.2
[M+K]+	217.11016	146.5
[M-H]-	177.13972	146.2
[M+Na-2H]-	199.12167	149.6
[M]+	178.14645	144.7
[M]-	178.14755	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe