CID 145867183

1-methyl-4-[4-(methylsulfanyl)butyl]piperazine

Structural Information

Molecular Formula
C10H22N2S
SMILES
CN1CCN(CC1)CCCCSC
InChI
InChI=1S/C10H22N2S/c1-11-6-8-12(9-7-11)5-3-4-10-13-2/h3-10H2,1-2H3
InChIKey
UVZKYHHMTRGJQQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylsulfanylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15766 148.4
[M+Na]+ 225.13960 158.7
[M+NH4]+ 220.18420 156.9
[M+K]+ 241.11354 149.6
[M-H]- 201.14310 149.8
[M+Na-2H]- 223.12505 152.0
[M]+ 202.14983 150.6
[M]- 202.15093 150.6
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.