CID 75392509

3-methanesulfonyl-1-[4-(prop-2-yn-1-yl)piperazin-1-yl]propan-1-one

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CS(=O)(=O)CCC(=O)N1CCN(CC1)CC#C
InChI
InChI=1S/C11H18N2O3S/c1-3-5-12-6-8-13(9-7-12)11(14)4-10-17(2,15)16/h1H,4-10H2,2H3
InChIKey
ZLWTVXCYEJTAMU-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10382 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11110 154.8
[M+Na]+ 281.09304 163.1
[M+NH4]+ 276.13764 156.8
[M+K]+ 297.06698 154.6
[M-H]- 257.09654 145.2
[M+Na-2H]- 279.07849 154.0
[M]+ 258.10327 152.5
[M]- 258.10437 152.5
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

No patent data available for this compound.