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]+ 217.136916 152.4
[M+Na]+ 239.118858 156.9
[M-H]- 215.122364 155.2
[M+NH4]+ 234.163463 172.2
[M+K]+ 255.092798 156.3
[M+H-H2O]+ 199.126900 145.2
[M+HCOO]- 261.127841 168.7
[M+CH3COO]- 275.143491 191.2
[M+Na-2H]- 237.104306 150.9
[M]+ 216.12909142 153.9
[M]- 216.13018858 153.9
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.