CID 135725016

51245-61-5

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1=C(C(=O)NC(=N1)C)NC(=O)C
InChI
InChI=1S/C8H11N3O2/c1-4-7(11-6(3)12)8(13)10-5(2)9-4/h1-3H3,(H,11,12)(H,9,10,13)
InChIKey
GNXOROQIJDYHCO-UHFFFAOYSA-N
Compound name
N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.08513 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 137.6
[M+Na]+ 204.07435 147.3
[M-H]- 180.07785 138.2
[M+NH4]+ 199.11895 154.6
[M+K]+ 220.04829 144.7
[M+H-H2O]+ 164.08239 130.8
[M+HCOO]- 226.08333 159.2
[M+CH3COO]- 240.09898 182.1
[M+Na-2H]- 202.05980 142.8
[M]+ 181.08458 137.4
[M]- 181.08568 137.4
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