CID 30228

20689-96-7

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CCN(CC1=CC=CC=C1)N=O

InChI

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

InChIKey

FEMRUGMGKZBXOL-UHFFFAOYSA-N

Compound name

N-benzyl-N-ethylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 6
Patents: 164.09496 Da
Monoisotopic Mass: 2.1
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	133.5
[M+Na]+	187.08418	139.9
[M-H]-	163.08768	139.8
[M+NH4]+	182.12878	154.7
[M+K]+	203.05812	140.2
[M+H-H2O]+	147.09222	126.4
[M+HCOO]-	209.09316	162.5
[M+CH3COO]-	223.10881	188.4
[M+Na-2H]-	185.06963	142.0
[M]+	164.09441	135.7
[M]-	164.09551	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe