CID 573260

713-70-2

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC1=NC(=NC=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C9H11N3O2/c1-6-3-4-10-9(11-6)12-8(14)5-7(2)13/h3-4H,5H2,1-2H3,(H,10,11,12,14)
InChIKey
ZRPIIQFTZUBLHR-UHFFFAOYSA-N
Compound name
N-(4-methylpyrimidin-2-yl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.3
[M+Na]+ 216.074348 148.9
[M-H]- 192.077854 142.4
[M+NH4]+ 211.118953 157.7
[M+K]+ 232.048288 147.4
[M+H-H2O]+ 176.082390 133.6
[M+HCOO]- 238.083331 163.1
[M+CH3COO]- 252.098981 186.0
[M+Na-2H]- 214.059796 146.8
[M]+ 193.08458142 142.0
[M]- 193.08567858 142.0
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