CID 136795

1005-31-8

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CN(C)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C7H10N2O/c1-8(2)7-3-5-9(10)6-4-7/h3-6H,1-2H3

InChIKey

WZMNQOYCHMGCSS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-oxidopyridin-1-ium-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 171
Patents: 138.07932 Da
Monoisotopic Mass: -0.5
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]+	139.08660	125.7
[M+Na]+	161.06854	133.7
[M-H]-	137.07204	128.5
[M+NH4]+	156.11314	145.8
[M+K]+	177.04248	128.7
[M+H-H2O]+	121.07658	124.3
[M+HCOO]-	183.07752	150.6
[M+CH3COO]-	197.09317	169.5
[M+Na-2H]-	159.05399	135.3
[M]+	138.07877	124.1
[M]-	138.07987	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe