CID 95532

69226-12-6

Structural Information

Molecular Formula
C8H15NOS
SMILES
CCC1CSC(C(=O)N1)(C)C
InChI
InChI=1S/C8H15NOS/c1-4-6-5-11-8(2,3)7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
UYRUCWOYLKIGPJ-UHFFFAOYSA-N
Compound name
5-ethyl-2,2-dimethylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 135.5
[M+Na]+ 196.076648 142.8
[M-H]- 172.080154 136.3
[M+NH4]+ 191.121253 156.7
[M+K]+ 212.050588 140.2
[M+H-H2O]+ 156.084690 130.9
[M+HCOO]- 218.085631 148.3
[M+CH3COO]- 232.101281 176.2
[M+Na-2H]- 194.062096 137.6
[M]+ 173.08688142 133.5
[M]- 173.08797858 133.5
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.