CID 60727914

3-(thiophen-2-yl)thiomorpholine

Structural Information

Molecular Formula
C8H11NS2
SMILES
C1CSCC(N1)C2=CC=CS2
InChI
InChI=1S/C8H11NS2/c1-2-8(11-4-1)7-6-10-5-3-9-7/h1-2,4,7,9H,3,5-6H2
InChIKey
VLALEQCRKOSSHW-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04058 135.7
[M+Na]+ 208.02252 142.9
[M-H]- 184.02602 139.3
[M+NH4]+ 203.06712 156.0
[M+K]+ 223.99646 138.6
[M+H-H2O]+ 168.03056 130.2
[M+HCOO]- 230.03150 145.6
[M+CH3COO]- 244.04715 147.6
[M+Na-2H]- 206.00797 135.5
[M]+ 185.03275 131.7
[M]- 185.03385 131.7
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.