CID 7364001

65264-05-3

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

InChI=1S/C9H12N2O/c1-2-7-3-5-8(6-4-7)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11)

InChIKey

RSGJHKJTRAXLPF-UHFFFAOYSA-N

Compound name

4-ethyl-N'-hydroxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 164.09496 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]+	165.10224	134.9
[M+Na]+	187.08418	141.6
[M-H]-	163.08768	138.3
[M+NH4]+	182.12878	154.8
[M+K]+	203.05812	139.6
[M+H-H2O]+	147.09222	128.7
[M+HCOO]-	209.09316	160.3
[M+CH3COO]-	223.10881	182.9
[M+Na-2H]-	185.06963	140.6
[M]+	164.09441	132.6
[M]-	164.09551	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe