CID 6538729

4-ethylbenzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C9H12N2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H3,10,11)

InChIKey

FZMLKENAMKEQOI-UHFFFAOYSA-N

Compound name

4-ethylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 112
Patents: 148.10005 Da
Monoisotopic Mass: 2.3
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]+	149.10733	132.1
[M+Na]+	171.08927	143.3
[M+NH4]+	166.13387	140.7
[M+K]+	187.06321	137.1
[M-H]-	147.09277	135.4
[M+Na-2H]-	169.07472	139.0
[M]+	148.09950	134.4
[M]-	148.10060	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe