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

26
Patents

183.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05391 136.5
[M+Na]+ 206.03585 146.0
[M-H]- 182.03935 137.8
[M+NH4]+ 201.08045 154.2
[M+K]+ 222.00979 143.0
[M+H-H2O]+ 166.04389 129.6
[M+HCOO]- 228.04483 153.5
[M+CH3COO]- 242.06048 182.9
[M+Na-2H]- 204.02130 139.2
[M]+ 183.04608 137.9
[M]- 183.04718 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