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]+ 178.097486 137.6
[M+Na]+ 200.079428 148.2
[M-H]- 176.082934 140.1
[M+NH4]+ 195.124033 154.6
[M+K]+ 216.053368 146.2
[M+H-H2O]+ 160.087470 124.6
[M+HCOO]- 222.088411 157.4
[M+CH3COO]- 236.104061 197.4
[M+Na-2H]- 198.064876 142.2
[M]+ 177.08966142 133.1
[M]- 177.09075858 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.