CID 3087113

2(1h)-pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1=C(N=C(C(=O)N1)C(C)C)C
InChI
InChI=1S/C9H14N2O/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)
InChIKey
VUAFUBKZULTSCO-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-propan-2-yl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.1
[M+Na]+ 189.09983 149.5
[M+NH4]+ 184.14443 143.4
[M+K]+ 205.07377 144.0
[M-H]- 165.10333 136.5
[M+Na-2H]- 187.08528 141.7
[M]+ 166.11006 138.0
[M]- 166.11116 138.0
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

patents stripe