CID 66545162

2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC(=NC(=C1C#N)CO)C
InChI
InChI=1S/C9H10N2O/c1-6-3-7(2)11-9(5-12)8(6)4-10/h3,12H,5H2,1-2H3
InChIKey
LHCUMOUZYGKSHL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.3
[M+Na]+ 185.06854 143.6
[M-H]- 161.07204 133.7
[M+NH4]+ 180.11314 149.8
[M+K]+ 201.04248 140.8
[M+H-H2O]+ 145.07658 120.1
[M+HCOO]- 207.07752 150.9
[M+CH3COO]- 221.09317 190.6
[M+Na-2H]- 183.05399 137.7
[M]+ 162.07877 128.2
[M]- 162.07987 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.