CID 44161

62783-50-0

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=CC=C(C=C1)CN(C)N=O

InChI

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

InChIKey

SGJYQDLYKCDHNS-UHFFFAOYSA-N

Compound name

N-methyl-N-[(4-methylphenyl)methyl]nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
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	133.1
[M+Na]+	187.08418	140.6
[M-H]-	163.08768	139.8
[M+NH4]+	182.12878	154.7
[M+K]+	203.05812	140.8
[M+H-H2O]+	147.09222	126.4
[M+HCOO]-	209.09316	162.2
[M+CH3COO]-	223.10881	189.5
[M+Na-2H]-	185.06963	141.0
[M]+	164.09441	135.8
[M]-	164.09551	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe