CID 459812

1-(2-amino-4-methylpyrimidin-5-yl)ethan-1-one

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

10
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 130.5
[M+Na]+ 174.06377 140.0
[M-H]- 150.06727 131.8
[M+NH4]+ 169.10837 148.9
[M+K]+ 190.03771 138.2
[M+H-H2O]+ 134.07181 123.6
[M+HCOO]- 196.07275 153.0
[M+CH3COO]- 210.08840 179.1
[M+Na-2H]- 172.04922 136.5
[M]+ 151.07400 129.9
[M]- 151.07510 129.9
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