CID 602012

2-methoxy-4,6-dimethylnicotinamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=CC(=NC(=C1C(=O)N)OC)C
InChI
InChI=1S/C9H12N2O2/c1-5-4-6(2)11-9(13-3)7(5)8(10)12/h4H,1-3H3,(H2,10,12)
InChIKey
BMAYYMBLHFWNII-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.4
[M+Na]+ 203.079088 146.8
[M-H]- 179.082594 140.2
[M+NH4]+ 198.123693 156.3
[M+K]+ 219.053028 145.3
[M+H-H2O]+ 163.087130 131.1
[M+HCOO]- 225.088071 160.8
[M+CH3COO]- 239.103721 185.7
[M+Na-2H]- 201.064536 141.6
[M]+ 180.08932142 138.8
[M]- 180.09041858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe