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: 124
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]+	149.107326	131.5
[M+Na]+	171.089268	138.2
[M-H]-	147.092774	134.9
[M+NH4]+	166.133873	152.1
[M+K]+	187.063208	135.7
[M+H-H2O]+	131.097310	125.6
[M+HCOO]-	193.098251	156.7
[M+CH3COO]-	207.113901	181.5
[M+Na-2H]-	169.074716	137.2
[M]+	148.09950142	127.9
[M]-	148.10059858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe