CID 3144943

1052544-24-7

Structural Information

Molecular Formula
C11H22N2O3S
SMILES
C1CS(=O)(=O)CC1NCCCN2CCOCC2
InChI
InChI=1S/C11H22N2O3S/c14-17(15)9-2-11(10-17)12-3-1-4-13-5-7-16-8-6-13/h11-12H,1-10H2
InChIKey
SETQMGXGFXNVLG-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1351 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14238 159.4
[M+Na]+ 285.12432 166.6
[M+NH4]+ 280.16892 167.8
[M+K]+ 301.09826 159.7
[M-H]- 261.12782 162.4
[M+Na-2H]- 283.10977 163.3
[M]+ 262.13455 161.4
[M]- 262.13565 161.4
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

No patent data available for this compound.