CID 59751961

4-(azetidin-3-yl)thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
C1CS(=O)(=O)CCN1C2CNC2
InChI
InChI=1S/C7H14N2O2S/c10-12(11)3-1-9(2-4-12)7-5-8-6-7/h7-8H,1-6H2
InChIKey
AIERFJIBCCZHKK-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 134.6
[M+Na]+ 213.06682 139.3
[M-H]- 189.07032 136.3
[M+NH4]+ 208.11142 146.3
[M+K]+ 229.04076 139.9
[M+H-H2O]+ 173.07486 122.9
[M+HCOO]- 235.07580 145.3
[M+CH3COO]- 249.09145 178.0
[M+Na-2H]- 211.05227 137.3
[M]+ 190.07705 138.8
[M]- 190.07815 138.8
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