CID 33727

Brn 2830533

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC(C1=CC=CC=C1)N=CN(C)C

InChI

InChI=1S/C11H16N2/c1-10(12-9-13(2)3)11-7-5-4-6-8-11/h4-10H,1-3H3

InChIKey

CELOCTORSPYCHU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-N'-(1-phenylethyl)methanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.13135 Da
Monoisotopic Mass: 1.9
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]+	177.13863	140.5
[M+Na]+	199.12057	146.0
[M-H]-	175.12407	146.6
[M+NH4]+	194.16517	161.3
[M+K]+	215.09451	145.7
[M+H-H2O]+	159.12861	133.4
[M+HCOO]-	221.12955	167.6
[M+CH3COO]-	235.14520	192.6
[M+Na-2H]-	197.10602	146.7
[M]+	176.13080	141.4
[M]-	176.13190	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.