CID 13582270

1-(2-aminopyrimidin-4-yl)ethanone

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC(=O)C1=NC(=NC=C1)N
InChI
InChI=1S/C6H7N3O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3,(H2,7,8,9)
InChIKey
XDKSEDDZHXZRKQ-UHFFFAOYSA-N
Compound name
1-(2-aminopyrimidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

137.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.9
[M+Na]+ 160.04813 138.0
[M+NH4]+ 155.09273 133.3
[M+K]+ 176.02207 133.2
[M-H]- 136.05163 126.8
[M+Na-2H]- 158.03358 132.6
[M]+ 137.05836 127.6
[M]- 137.05946 127.6
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