CID 660920

Brn 4419166

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC(=C(C(=O)N1)C#N)N(C)C
InChI
InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13)
InChIKey
BMQKSNHUDFPJNN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

13
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

literature stripe

Patent stripe

patents stripe