CID 11183013

352328-55-3

Structural Information

Molecular Formula
C7H9N3OS
SMILES
CC(=O)C1=CN=C(N=C1N)SC
InChI
InChI=1S/C7H9N3OS/c1-4(11)5-3-9-7(12-2)10-6(5)8/h3H,1-2H3,(H2,8,9,10)
InChIKey
GVXVSVNJQPKFPZ-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylsulfanylpyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

183.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.053906 136.5
[M+Na]+ 206.035848 146.0
[M-H]- 182.039354 137.8
[M+NH4]+ 201.080453 154.2
[M+K]+ 222.009788 143.0
[M+H-H2O]+ 166.043890 129.6
[M+HCOO]- 228.044831 153.5
[M+CH3COO]- 242.060481 182.9
[M+Na-2H]- 204.021296 139.2
[M]+ 183.04608142 137.9
[M]- 183.04717858 137.9
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