CID 55279833

2-(4-methylpiperazin-1-yl)ethane-1-sulfonyl chloride dihydrochloride

Structural Information

Molecular Formula
C7H15ClN2O2S
SMILES
CN1CCN(CC1)CCS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClN2O2S/c1-9-2-4-10(5-3-9)6-7-13(8,11)12/h2-7H2,1H3
InChIKey
QJQBFCLTSPZBGT-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.05428 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06156 146.4
[M+Na]+ 249.04350 154.0
[M-H]- 225.04700 146.9
[M+NH4]+ 244.08810 163.3
[M+K]+ 265.01744 150.6
[M+H-H2O]+ 209.05154 140.7
[M+HCOO]- 271.05248 154.1
[M+CH3COO]- 285.06813 183.3
[M+Na-2H]- 247.02895 148.9
[M]+ 226.05373 147.5
[M]- 226.05483 147.5
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