CID 13582270

106157-82-8

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

49
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 126.0
[M+Na]+ 160.04813 134.9
[M-H]- 136.05163 127.0
[M+NH4]+ 155.09273 144.6
[M+K]+ 176.02207 133.4
[M+H-H2O]+ 120.05617 119.0
[M+HCOO]- 182.05711 148.8
[M+CH3COO]- 196.07276 174.9
[M+Na-2H]- 158.03358 133.3
[M]+ 137.05836 124.6
[M]- 137.05946 124.6
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