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

25
Patents

190.0776 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 137.9
[M+Na]+ 213.06682 144.5
[M-H]- 189.07032 137.3
[M+NH4]+ 208.11142 157.4
[M+K]+ 229.04076 141.6
[M+H-H2O]+ 173.07486 132.0
[M+HCOO]- 235.07580 147.3
[M+CH3COO]- 249.09145 148.8
[M+Na-2H]- 211.05227 142.5
[M]+ 190.07705 132.6
[M]- 190.07815 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