CID 4219798

C9h15n5o4s

Structural Information

Molecular Formula
C9H15N5O4S
SMILES
C1CCN(CC1)C2=NC(=N)N(C(=C2)N)OS(=O)(=O)O
InChI
InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,11H,1-5,10H2,(H,15,16,17)
InChIKey
DHVJQUFZGZOFFY-UHFFFAOYSA-N
Compound name
(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.091746 161.7
[M+Na]+ 312.073688 168.7
[M-H]- 288.077194 162.7
[M+NH4]+ 307.118293 171.9
[M+K]+ 328.047628 164.3
[M+H-H2O]+ 272.081730 153.4
[M+HCOO]- 334.082671 173.9
[M+CH3COO]- 348.098321 197.8
[M+Na-2H]- 310.059136 165.5
[M]+ 289.08392142 158.4
[M]- 289.08501858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.