CID 78825414

2-{methyl[2-(methylsulfanyl)ethyl]amino}-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CN(CCSC)CC(=O)N1CCCC1
InChI
InChI=1S/C10H20N2OS/c1-11(7-8-14-2)9-10(13)12-5-3-4-6-12/h3-9H2,1-2H3
InChIKey
AQRZDSIVZJKIBO-UHFFFAOYSA-N
Compound name
2-[methyl(2-methylsulfanylethyl)amino]-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13692 151.9
[M+Na]+ 239.11886 159.1
[M+NH4]+ 234.16346 159.7
[M+K]+ 255.09280 153.7
[M-H]- 215.12236 152.8
[M+Na-2H]- 237.10431 154.3
[M]+ 216.12909 153.3
[M]- 216.13019 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.