CID 273584

2-acetamidopyrimidine

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC(=O)NC1=NC=CC=N1
InChI
InChI=1S/C6H7N3O/c1-5(10)9-6-7-3-2-4-8-6/h2-4H,1H3,(H,7,8,9,10)
InChIKey
UKKHWKNEQBGLMI-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

401
Patents

137.05891 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.8
[M+Na]+ 160.04813 133.8
[M-H]- 136.05163 126.9
[M+NH4]+ 155.09273 144.4
[M+K]+ 176.02207 132.6
[M+H-H2O]+ 120.05617 118.5
[M+HCOO]- 182.05711 149.2
[M+CH3COO]- 196.07276 173.7
[M+Na-2H]- 158.03358 134.9
[M]+ 137.05836 124.9
[M]- 137.05946 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe