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 156.4
[M+Na]+ 290.06438 162.4
[M-H]- 266.06788 164.4
[M+NH4]+ 285.10898 172.6
[M+K]+ 306.03832 159.1
[M+H-H2O]+ 250.07242 149.9
[M+HCOO]- 312.07336 164.8
[M+CH3COO]- 326.08901 167.2
[M+Na-2H]- 288.04983 155.1
[M]+ 267.07461 153.0
[M]- 267.07571 153.0
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.