CID 3075187

(2-alpha,5-alpha)-2,5-di(morpholinomethyl)-1-thiacyclopentane-1-oxide

Structural Information

Molecular Formula
C14H26N2O3S
SMILES
C1CC(S(=O)C1CN2CCOCC2)CN3CCOCC3
InChI
InChI=1S/C14H26N2O3S/c17-20-13(11-15-3-7-18-8-4-15)1-2-14(20)12-16-5-9-19-10-6-16/h13-14H,1-12H2
InChIKey
AXBJQTDISCBYJC-UHFFFAOYSA-N
Compound name
2,5-bis(morpholin-4-ylmethyl)thiolane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1664 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17368 170.7
[M+Na]+ 325.15562 179.4
[M+NH4]+ 320.20022 178.2
[M+K]+ 341.12956 174.1
[M-H]- 301.15912 176.6
[M+Na-2H]- 323.14107 173.0
[M]+ 302.16585 173.8
[M]- 302.16695 173.8
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

No patent data available for this compound.