CID 735904

1-[4-(methylsulfonyl)phenyl]piperazine

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)N2CCNCC2
InChI
InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
KNQFDOLIXOOIGX-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

240.09325 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.0
[M+Na]+ 263.08247 159.4
[M-H]- 239.08597 155.1
[M+NH4]+ 258.12707 167.4
[M+K]+ 279.05641 155.0
[M+H-H2O]+ 223.09051 145.5
[M+HCOO]- 285.09145 164.1
[M+CH3COO]- 299.10710 184.7
[M+Na-2H]- 261.06792 156.2
[M]+ 240.09270 149.5
[M]- 240.09380 149.5
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