CID 27789

N-propylphenylacetamidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CCCN=C(CC1=CC=CC=C1)N

InChI

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

InChIKey

LEDWXWWLPLRJHX-UHFFFAOYSA-N

Compound name

2-phenyl-N'-propylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.13135 Da
Monoisotopic Mass: 1.7
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	140.7
[M+Na]+	199.120568	146.0
[M-H]-	175.124074	144.7
[M+NH4]+	194.165173	160.6
[M+K]+	215.094508	144.0
[M+H-H2O]+	159.128610	133.8
[M+HCOO]-	221.129551	166.7
[M+CH3COO]-	235.145201	188.4
[M+Na-2H]-	197.106016	146.6
[M]+	176.13080142	139.2
[M]-	176.13189858	139.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.