CID 573260

N-(4-methylpyrimidin-2-yl)-3-oxobutanamide

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

1
Patents

193.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 141.6
[M+Na]+ 216.07435 152.6
[M+NH4]+ 211.11895 147.7
[M+K]+ 232.04829 148.2
[M-H]- 192.07785 141.6
[M+Na-2H]- 214.05980 147.0
[M]+ 193.08458 142.8
[M]- 193.08568 142.8
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