CID 28063369

4-(4-piperidinyl)thiomorpholine dihydrochloride

Structural Information

Molecular Formula
C9H18N2S
SMILES
C1CNCCC1N2CCSCC2
InChI
InChI=1S/C9H18N2S/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
InChIKey
SBNUKGVQXYBWLO-UHFFFAOYSA-N
Compound name
4-piperidin-4-ylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

186.11906 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12634 141.8
[M+Na]+ 209.10828 144.4
[M-H]- 185.11178 142.4
[M+NH4]+ 204.15288 157.9
[M+K]+ 225.08222 141.2
[M+H-H2O]+ 169.11632 134.0
[M+HCOO]- 231.11726 150.1
[M+CH3COO]- 245.13291 151.1
[M+Na-2H]- 207.09373 142.8
[M]+ 186.11851 132.1
[M]- 186.11961 132.1
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