CID 43581088

4-[5-(aminomethyl)pyridin-2-yl]-1lambda6-thiomorpholine-1,1-dione dihydrochloride

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
C1CS(=O)(=O)CCN1C2=NC=C(C=C2)CN
InChI
InChI=1S/C10H15N3O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7,11H2
InChIKey
ZWWRDBPDHAYUSU-UHFFFAOYSA-N
Compound name
[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.0885 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09578 150.4
[M+Na]+ 264.07772 158.3
[M-H]- 240.08122 153.8
[M+NH4]+ 259.12232 167.1
[M+K]+ 280.05166 154.3
[M+H-H2O]+ 224.08576 142.8
[M+HCOO]- 286.08670 165.3
[M+CH3COO]- 300.10235 188.9
[M+Na-2H]- 262.06317 154.1
[M]+ 241.08795 148.0
[M]- 241.08905 148.0
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