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]+ 203.157656 147.4
[M+Na]+ 225.139598 152.5
[M-H]- 201.143104 147.1
[M+NH4]+ 220.184203 164.6
[M+K]+ 241.113538 150.1
[M+H-H2O]+ 185.147640 140.0
[M+HCOO]- 247.148581 159.5
[M+CH3COO]- 261.164231 185.8
[M+Na-2H]- 223.125046 147.9
[M]+ 202.14983142 147.0
[M]- 202.15092858 147.0
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.