CID 135934367

1955554-19-4

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CSC1=NC(=CC(=O)N1)CN
InChI
InChI=1S/C6H9N3OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKey
BJVVQDSUVDFVHA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04663 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 132.7
[M+Na]+ 194.03585 142.5
[M-H]- 170.03935 132.6
[M+NH4]+ 189.08045 150.2
[M+K]+ 210.00979 138.2
[M+H-H2O]+ 154.04389 126.1
[M+HCOO]- 216.04483 149.5
[M+CH3COO]- 230.06048 176.6
[M+Na-2H]- 192.02130 136.4
[M]+ 171.04608 132.4
[M]- 171.04718 132.4
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

No patent data available for this compound.