CID 351276

1562-12-5

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC(=C(C(=O)N1N)C#N)C
InChI
InChI=1S/C8H9N3O/c1-5-3-6(2)11(10)8(12)7(5)4-9/h3H,10H2,1-2H3
InChIKey
IOUFHSGKGXNGDO-UHFFFAOYSA-N
Compound name
1-amino-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

163.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 133.1
[M+Na]+ 186.06377 145.2
[M-H]- 162.06727 135.6
[M+NH4]+ 181.10837 150.8
[M+K]+ 202.03771 142.8
[M+H-H2O]+ 146.07181 120.6
[M+HCOO]- 208.07275 153.6
[M+CH3COO]- 222.08840 194.4
[M+Na-2H]- 184.04922 137.7
[M]+ 163.07400 128.3
[M]- 163.07510 128.3
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