CID 459812

5-acetyl-2-amino-4-methylpyrimidine

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC1=NC(=NC=C1C(=O)C)N
InChI
InChI=1S/C7H9N3O/c1-4-6(5(2)11)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
InChIKey
LWZQQJIAMSDELT-UHFFFAOYSA-N
Compound name
1-(2-amino-4-methylpyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

151.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.4
[M+Na]+ 174.06377 142.7
[M+NH4]+ 169.10837 137.6
[M+K]+ 190.03771 137.9
[M-H]- 150.06727 131.3
[M+Na-2H]- 172.04922 136.6
[M]+ 151.07400 132.2
[M]- 151.07510 132.2
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