CID 21766081

3-methyl-4-(methylamino)pyridin-1-ium-1-olate

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=CN(C=CC1=NC)O

InChI

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

InChIKey

IKSRQOBNQIYOPU-UHFFFAOYSA-N

Compound name

1-hydroxy-N,3-dimethylpyridin-4-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.07932 Da
Monoisotopic Mass: 0.3
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]+	139.086596	125.2
[M+Na]+	161.068538	134.9
[M-H]-	137.072044	128.4
[M+NH4]+	156.113143	146.0
[M+K]+	177.042478	133.3
[M+H-H2O]+	121.076580	119.2
[M+HCOO]-	183.077521	150.7
[M+CH3COO]-	197.093171	175.5
[M+Na-2H]-	159.053986	133.5
[M]+	138.07877142	125.6
[M]-	138.07986858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe