CID 3042110

Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C12H18N2S
SMILES
CSC1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C12H18N2S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
QLOKJRIVRGCVIM-UHFFFAOYSA-N
Compound name
1-[(4-methylsulfanylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.11906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 149.9
[M+Na]+ 245.10828 162.4
[M+NH4]+ 240.15288 159.1
[M+K]+ 261.08222 152.7
[M-H]- 221.11178 153.6
[M+Na-2H]- 243.09373 157.0
[M]+ 222.11851 153.2
[M]- 222.11961 153.2
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

patents stripe