CID 2751820

6890-59-1

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC1=CC(=CC(=[N+]1[O-])C)OC

InChI

InChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3

InChIKey

CMQDTHWXQUKRKA-UHFFFAOYSA-N

Compound name

4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.07898 Da
Monoisotopic Mass: 0.6
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]+	154.086256	129.7
[M+Na]+	176.068198	139.8
[M-H]-	152.071704	131.8
[M+NH4]+	171.112803	149.5
[M+K]+	192.042138	133.8
[M+H-H2O]+	136.076240	129.1
[M+HCOO]-	198.077181	152.9
[M+CH3COO]-	212.092831	168.6
[M+Na-2H]-	174.053646	137.9
[M]+	153.07843142	130.2
[M]-	153.07952858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe