CID 57763211

3-methanesulfonyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CN1CCN(CC1)C(=O)CCS(=O)(=O)C
InChI
InChI=1S/C9H18N2O3S/c1-10-4-6-11(7-5-10)9(12)3-8-15(2,13)14/h3-8H2,1-2H3
InChIKey
KKDGSIBTXOKRSD-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-methylsulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

234.10382 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 151.8
[M+Na]+ 257.09304 157.9
[M-H]- 233.09654 152.1
[M+NH4]+ 252.13764 167.4
[M+K]+ 273.06698 156.1
[M+H-H2O]+ 217.10108 145.2
[M+HCOO]- 279.10202 162.9
[M+CH3COO]- 293.11767 186.9
[M+Na-2H]- 255.07849 152.9
[M]+ 234.10327 152.1
[M]- 234.10437 152.1
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