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: 165
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	125.1
[M+Na]+	161.06854	139.7
[M+NH4]+	156.11314	134.5
[M+K]+	177.04248	135.6
[M-H]-	137.07204	129.0
[M+Na-2H]-	159.05399	133.2
[M]+	138.07877	128.3
[M]-	138.07987	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe