CID 95529

Dtxsid10988926

Structural Information

Molecular Formula
C8H15NOS
SMILES
CCC1CSC(C(=O)N1)CC
InChI
InChI=1S/C8H15NOS/c1-3-6-5-11-7(4-2)8(10)9-6/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKey
OEFPHVAQUOERGW-UHFFFAOYSA-N
Compound name
2,5-diethylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 137.0
[M+Na]+ 196.076648 143.6
[M-H]- 172.080154 137.6
[M+NH4]+ 191.121253 156.2
[M+K]+ 212.050588 140.6
[M+H-H2O]+ 156.084690 131.4
[M+HCOO]- 218.085631 149.9
[M+CH3COO]- 232.101281 176.6
[M+Na-2H]- 194.062096 137.6
[M]+ 173.08688142 134.6
[M]- 173.08797858 134.6
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.