CID 3075182

Cis-2,5-di(morpholinomethyl)-1-thiacyclopentane

Structural Information

Molecular Formula
C14H26N2O2S
SMILES
C1C[C@H](S[C@H]1CN2CCOCC2)CN3CCOCC3
InChI
InChI=1S/C14H26N2O2S/c1-2-14(12-16-5-9-18-10-6-16)19-13(1)11-15-3-7-17-8-4-15/h13-14H,1-12H2/t13-,14+
InChIKey
MMAHDCTWUWTJTR-OKILXGFUSA-N
Compound name
4-[[(2R,5S)-5-(morpholin-4-ylmethyl)thiolan-2-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1715 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17878 167.8
[M+Na]+ 309.16072 176.6
[M+NH4]+ 304.20532 176.1
[M+K]+ 325.13466 170.6
[M-H]- 285.16422 174.3
[M+Na-2H]- 307.14617 170.7
[M]+ 286.17095 171.1
[M]- 286.17205 171.1
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.