CID 704295

1-[(4-methylphenyl)sulfonyl]piperazine

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
VHFDYFUMWJSVCA-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

401
Patents

240.09325 Da
Monoisotopic Mass

0.8
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