CID 43210689

1840511-51-4

Structural Information

Molecular Formula
C9H16N2OS
SMILES
C1CC(NC1)C(=O)N2CCSCC2
InChI
InChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2
InChIKey
ZIIAALYTCRMOJP-UHFFFAOYSA-N
Compound name
pyrrolidin-2-yl(thiomorpholin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09833 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10561 146.2
[M+Na]+ 223.08755 150.0
[M-H]- 199.09105 147.6
[M+NH4]+ 218.13215 163.7
[M+K]+ 239.06149 147.5
[M+H-H2O]+ 183.09559 138.9
[M+HCOO]- 245.09653 156.2
[M+CH3COO]- 259.11218 156.2
[M+Na-2H]- 221.07300 144.4
[M]+ 200.09778 138.9
[M]- 200.09888 138.9
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.