CID 40230934

1090832-62-4

Structural Information

Molecular Formula
C9H18N2OS
SMILES
CN1CCN(CC1)C(=O)CCSC
InChI
InChI=1S/C9H18N2OS/c1-10-4-6-11(7-5-10)9(12)3-8-13-2/h3-8H2,1-2H3
InChIKey
CBSRXJWHSAWUIW-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11398 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12126 146.0
[M+Na]+ 225.10320 151.5
[M-H]- 201.10670 146.0
[M+NH4]+ 220.14780 163.1
[M+K]+ 241.07714 149.6
[M+H-H2O]+ 185.11124 138.9
[M+HCOO]- 247.11218 157.8
[M+CH3COO]- 261.12783 184.1
[M+Na-2H]- 223.08865 146.0
[M]+ 202.11343 145.2
[M]- 202.11453 145.2
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.