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

7
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 134.9
[M+Na]+ 189.099828 144.9
[M-H]- 165.103334 135.4
[M+NH4]+ 184.144433 153.1
[M+K]+ 205.073768 142.2
[M+H-H2O]+ 149.107870 128.6
[M+HCOO]- 211.108811 154.8
[M+CH3COO]- 225.124461 179.6
[M+Na-2H]- 187.085276 139.4
[M]+ 166.11006142 135.3
[M]- 166.11115858 135.3
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