CID 3052688

69226-18-2

Structural Information

Molecular Formula
C9H17NOS
SMILES
CCCC1C(=S)NC(CO1)CC
InChI
InChI=1S/C9H17NOS/c1-3-5-8-9(12)10-7(4-2)6-11-8/h7-8H,3-6H2,1-2H3,(H,10,12)
InChIKey
MHJLWQRGQUZCSB-UHFFFAOYSA-N
Compound name
5-ethyl-2-propylmorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11037 141.4
[M+Na]+ 210.09231 147.7
[M-H]- 186.09581 142.5
[M+NH4]+ 205.13691 158.8
[M+K]+ 226.06625 145.4
[M+H-H2O]+ 170.10035 135.6
[M+HCOO]- 232.10129 153.2
[M+CH3COO]- 246.11694 179.6
[M+Na-2H]- 208.07776 142.4
[M]+ 187.10254 139.9
[M]- 187.10364 139.9
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.