CID 59215787

Octahydro-2lambda6-piperazino[2,1-c]thiomorpholine-2,2-dione dihydrochloride

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
C1CN2CCS(=O)(=O)CC2CN1
InChI
InChI=1S/C7H14N2O2S/c10-12(11)4-3-9-2-1-8-5-7(9)6-12/h7-8H,1-6H2
InChIKey
TYRNNGZQKUKQJV-UHFFFAOYSA-N
Compound name
1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.0776 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 137.9
[M+Na]+ 213.066818 144.5
[M-H]- 189.070324 137.3
[M+NH4]+ 208.111423 157.4
[M+K]+ 229.040758 141.6
[M+H-H2O]+ 173.074860 132.0
[M+HCOO]- 235.075801 147.3
[M+CH3COO]- 249.091451 148.8
[M+Na-2H]- 211.052266 142.5
[M]+ 190.07705142 132.6
[M]- 190.07814858 132.6
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