CID 269717

1-methyl-4-(para-tolylsulfonyl)-piperazine

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C
InChI
InChI=1S/C12H18N2O2S/c1-11-3-5-12(6-4-11)17(15,16)14-9-7-13(2)8-10-14/h3-6H,7-10H2,1-2H3
InChIKey
LOQGRIZFMIRFTQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

112
Patents

254.1089 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 156.8
[M+Na]+ 277.098118 164.2
[M-H]- 253.101624 160.6
[M+NH4]+ 272.142723 171.7
[M+K]+ 293.072058 160.4
[M+H-H2O]+ 237.106160 149.1
[M+HCOO]- 299.107101 169.1
[M+CH3COO]- 313.122751 191.3
[M+Na-2H]- 275.083566 159.3
[M]+ 254.10835142 155.9
[M]- 254.10944858 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe