CID 3052690

Dtxsid00988935

Structural Information

Molecular Formula
C8H15NOS
SMILES
CCCC1C(=S)NC(CO1)C
InChI
InChI=1S/C8H15NOS/c1-3-4-7-8(11)9-6(2)5-10-7/h6-7H,3-5H2,1-2H3,(H,9,11)
InChIKey
MAQFSOVELHTPLF-UHFFFAOYSA-N
Compound name
5-methyl-2-propylmorpholine-3-thione
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 137.0
[M+Na]+ 196.076648 143.8
[M-H]- 172.080154 138.3
[M+NH4]+ 191.121253 155.0
[M+K]+ 212.050588 141.7
[M+H-H2O]+ 156.084690 131.4
[M+HCOO]- 218.085631 149.1
[M+CH3COO]- 232.101281 176.6
[M+Na-2H]- 194.062096 138.5
[M]+ 173.08688142 135.2
[M]- 173.08797858 135.2
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.