CID 136187465

Dtxsid40430185

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC/C(=N\NC1=NC(=CC(=O)N1)C)/C
InChI
InChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)/b12-6-
InChIKey
YMQFMTLSLUSZMM-SDQBBNPISA-N
Compound name
2-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 143.0
[M+Na]+ 217.105978 151.0
[M-H]- 193.109484 144.4
[M+NH4]+ 212.150583 159.6
[M+K]+ 233.079918 148.4
[M+H-H2O]+ 177.114020 135.2
[M+HCOO]- 239.114961 166.6
[M+CH3COO]- 253.130611 189.4
[M+Na-2H]- 215.091426 149.2
[M]+ 194.11621142 142.5
[M]- 194.11730858 142.5
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

No patent data available for this compound.