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]+ 217.13692 150.3
[M+Na]+ 239.11886 155.4
[M-H]- 215.12236 150.2
[M+NH4]+ 234.16346 166.8
[M+K]+ 255.09280 153.2
[M+H-H2O]+ 199.12690 143.0
[M+HCOO]- 261.12784 161.8
[M+CH3COO]- 275.14349 187.0
[M+Na-2H]- 237.10431 149.8
[M]+ 216.12909 149.9
[M]- 216.13019 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.