CID 16772242

1-(3-methanesulfonylbenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCNCC2
InChI
InChI=1S/C12H16N2O3S/c1-18(16,17)11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChIKey
GWEJONLWODDJEY-UHFFFAOYSA-N
Compound name
(3-methylsulfonylphenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08817 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 159.4
[M+Na]+ 291.07739 165.3
[M-H]- 267.08089 161.5
[M+NH4]+ 286.12199 172.4
[M+K]+ 307.05133 161.1
[M+H-H2O]+ 251.08543 151.9
[M+HCOO]- 313.08637 169.6
[M+CH3COO]- 327.10202 189.2
[M+Na-2H]- 289.06284 161.4
[M]+ 268.08762 156.3
[M]- 268.08872 156.3
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