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: 161
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]+	167.08151	131.4
[M+Na]+	189.06345	139.2
[M-H]-	165.06695	138.3
[M+NH4]+	184.10805	152.8
[M+K]+	205.03739	140.3
[M+H-H2O]+	149.07149	124.6
[M+HCOO]-	211.07243	161.0
[M+CH3COO]-	225.08808	188.5
[M+Na-2H]-	187.04890	139.8
[M]+	166.07368	135.2
[M]-	166.07478	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe