CID 50231

Benzylamine, alpha,n-dimethyl-n-nitroso-

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

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

InChIKey

BSVVIIHAZGTBGJ-UHFFFAOYSA-N

Compound name

N-methyl-N-(1-phenylethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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]+	165.102236	134.1
[M+Na]+	187.084178	140.3
[M-H]-	163.087684	140.5
[M+NH4]+	182.128783	155.2
[M+K]+	203.058118	141.0
[M+H-H2O]+	147.092220	127.2
[M+HCOO]-	209.093161	162.1
[M+CH3COO]-	223.108811	189.2
[M+Na-2H]-	185.069626	141.4
[M]+	164.09441142	135.7
[M]-	164.09550858	135.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.