CID 3063891

4-(2-phenyl-1,3-dithiolan-4-yl)morpholine

Structural Information

Molecular Formula
C13H17NOS2
SMILES
C1COCCN1C2CSC(S2)C3=CC=CC=C3
InChI
InChI=1S/C13H17NOS2/c1-2-4-11(5-3-1)13-16-10-12(17-13)14-6-8-15-9-7-14/h1-5,12-13H,6-10H2
InChIKey
DWONJJNMBIWNLN-UHFFFAOYSA-N
Compound name
4-(2-phenyl-1,3-dithiolan-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08244 153.9
[M+Na]+ 290.06438 165.4
[M+NH4]+ 285.10898 164.4
[M+K]+ 306.03832 156.4
[M-H]- 266.06788 161.3
[M+Na-2H]- 288.04983 160.6
[M]+ 267.07461 158.7
[M]- 267.07571 158.7
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.