CID 13657

940-11-4

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c1-10(9-11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3

InChIKey

KGZKEAKAKSKGAA-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 166.07423 Da
Monoisotopic Mass: 1.7
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]+	167.081506	131.4
[M+Na]+	189.063448	139.2
[M-H]-	165.066954	138.3
[M+NH4]+	184.108053	152.8
[M+K]+	205.037388	140.3
[M+H-H2O]+	149.071490	124.6
[M+HCOO]-	211.072431	161.0
[M+CH3COO]-	225.088081	188.5
[M+Na-2H]-	187.048896	139.8
[M]+	166.07368142	135.2
[M]-	166.07477858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe