CID 3052686

69226-16-0

Structural Information

Molecular Formula
C7H13NOS
SMILES
CCC1C(=S)NC(CO1)C
InChI
InChI=1S/C7H13NOS/c1-3-6-7(10)8-5(2)4-9-6/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKey
MEXIDGXNEJWNSK-UHFFFAOYSA-N
Compound name
2-ethyl-5-methylmorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.0718 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 132.6
[M+Na]+ 182.06102 139.8
[M-H]- 158.06452 134.1
[M+NH4]+ 177.10562 151.1
[M+K]+ 198.03496 138.0
[M+H-H2O]+ 142.06906 127.2
[M+HCOO]- 204.07000 145.0
[M+CH3COO]- 218.08565 173.6
[M+Na-2H]- 180.04647 134.6
[M]+ 159.07125 130.4
[M]- 159.07235 130.4
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

patents stripe