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 159.4
[M+Na]+ 281.09304 167.0
[M-H]- 257.09654 158.6
[M+NH4]+ 276.13764 172.2
[M+K]+ 297.06698 164.2
[M+H-H2O]+ 241.10108 146.5
[M+HCOO]- 303.10202 165.2
[M+CH3COO]- 317.11767 198.3
[M+Na-2H]- 279.07849 158.9
[M]+ 258.10327 154.3
[M]- 258.10437 154.3
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

No patent data available for this compound.