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

54
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

No literature data available for this compound.

Patent stripe

patents stripe