CID 27487

15795-36-5

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CN(C)C=NCCC1=CC=CC=C1

InChI

InChI=1S/C11H16N2/c1-13(2)10-12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

KPDUVWBTRFPCGC-UHFFFAOYSA-N

Compound name

N,N-dimethyl-N'-(2-phenylethyl)methanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.13135 Da
Monoisotopic Mass: 1.8
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]+	177.138626	139.9
[M+Na]+	199.120568	145.6
[M-H]-	175.124074	145.9
[M+NH4]+	194.165173	160.8
[M+K]+	215.094508	144.9
[M+H-H2O]+	159.128610	132.7
[M+HCOO]-	221.129551	168.0
[M+CH3COO]-	235.145201	191.8
[M+Na-2H]-	197.106016	147.3
[M]+	176.13080142	141.4
[M]-	176.13189858	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.