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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.10561	145.5
[M+Na]+	223.08755	153.5
[M+NH4]+	218.13215	153.7
[M+K]+	239.06149	148.1
[M-H]-	199.09105	146.8
[M+Na-2H]-	221.07300	148.8
[M]+	200.09778	147.0
[M]-	200.09888	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.