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 134.9
[M+Na]+ 189.09983 144.9
[M-H]- 165.10333 135.4
[M+NH4]+ 184.14443 153.1
[M+K]+ 205.07377 142.2
[M+H-H2O]+ 149.10787 128.6
[M+HCOO]- 211.10881 154.8
[M+CH3COO]- 225.12446 179.6
[M+Na-2H]- 187.08528 139.4
[M]+ 166.11006 135.3
[M]- 166.11116 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