CID 54406424

1-(2-methylbenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1=CC=CC=C1S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C11H16N2O2S/c1-10-4-2-3-5-11(10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
VRABMGCQXDXPFM-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 152.6
[M+Na]+ 263.08247 164.0
[M+NH4]+ 258.12707 159.9
[M+K]+ 279.05641 156.6
[M-H]- 239.08597 154.1
[M+Na-2H]- 261.06792 158.7
[M]+ 240.09270 155.0
[M]- 240.09380 155.0
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

patents stripe