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

1
Patents

173.08743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09471 135.5
[M+Na]+ 196.07665 142.8
[M-H]- 172.08015 136.3
[M+NH4]+ 191.12125 156.7
[M+K]+ 212.05059 140.2
[M+H-H2O]+ 156.08469 130.9
[M+HCOO]- 218.08563 148.3
[M+CH3COO]- 232.10128 176.2
[M+Na-2H]- 194.06210 137.6
[M]+ 173.08688 133.5
[M]- 173.08798 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.