CID 84330547

1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)butan-1-one

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CN1CCN(CC1)C(=O)CCCSC
InChI
InChI=1S/C10H20N2OS/c1-11-5-7-12(8-6-11)10(13)4-3-9-14-2/h3-9H2,1-2H3
InChIKey
KVRODVOFNQNHIH-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.136916 150.3
[M+Na]+ 239.118858 155.4
[M-H]- 215.122364 150.2
[M+NH4]+ 234.163463 166.8
[M+K]+ 255.092798 153.2
[M+H-H2O]+ 199.126900 143.0
[M+HCOO]- 261.127841 161.8
[M+CH3COO]- 275.143491 187.0
[M+Na-2H]- 237.104306 149.8
[M]+ 216.12909142 149.9
[M]- 216.13018858 149.9
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.