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

48
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 134.6
[M+Na]+ 213.066818 139.3
[M-H]- 189.070324 136.3
[M+NH4]+ 208.111423 146.3
[M+K]+ 229.040758 139.9
[M+H-H2O]+ 173.074860 122.9
[M+HCOO]- 235.075801 145.3
[M+CH3COO]- 249.091451 178.0
[M+Na-2H]- 211.052266 137.3
[M]+ 190.07705142 138.8
[M]- 190.07814858 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