CID 60634814

1-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CN1CCN(CC1)C(=O)CSC
InChI
InChI=1S/C8H16N2OS/c1-9-3-5-10(6-4-9)8(11)7-12-2/h3-7H2,1-2H3
InChIKey
OVMVAEOYRMVINS-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.09833 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 141.6
[M+Na]+ 211.08755 147.6
[M-H]- 187.09105 141.9
[M+NH4]+ 206.13215 159.3
[M+K]+ 227.06149 145.9
[M+H-H2O]+ 171.09559 134.7
[M+HCOO]- 233.09653 153.7
[M+CH3COO]- 247.11218 181.1
[M+Na-2H]- 209.07300 142.1
[M]+ 188.09778 140.5
[M]- 188.09888 140.5
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

patents stripe