CID 55202

84174-20-9

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-11(10-12)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3

InChIKey

PBYJHBYYEJFZIL-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 180.08987 Da
Monoisotopic Mass: 1.6
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]+	181.09715	137.4
[M+Na]+	203.07909	149.1
[M+NH4]+	198.12369	145.8
[M+K]+	219.05303	143.1
[M-H]-	179.08259	140.9
[M+Na-2H]-	201.06454	145.2
[M]+	180.08932	139.9
[M]-	180.09042	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe