CID 541951

Brn 0392302

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=C(C(=O)NC(=C1)N(C)C)C#N
InChI
InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)11-9(13)7(6)5-10/h4H,1-3H3,(H,11,13)
InChIKey
MBVXXQIYFFTWJE-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 137.6
[M+Na]+ 200.07943 148.2
[M-H]- 176.08293 140.1
[M+NH4]+ 195.12403 154.6
[M+K]+ 216.05337 146.2
[M+H-H2O]+ 160.08747 124.6
[M+HCOO]- 222.08841 157.4
[M+CH3COO]- 236.10406 197.4
[M+Na-2H]- 198.06488 142.2
[M]+ 177.08966 133.1
[M]- 177.09076 133.1
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.