CID 61693959

1-(but-3-yn-1-yl)-4-methanesulfonylpiperazine

Structural Information

Molecular Formula
C9H16N2O2S
SMILES
CS(=O)(=O)N1CCN(CC1)CCC#C
InChI
InChI=1S/C9H16N2O2S/c1-3-4-5-10-6-8-11(9-7-10)14(2,12)13/h1H,4-9H2,2H3
InChIKey
GYMPWDIPHVMYKR-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-4-methylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09325 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10053 148.6
[M+Na]+ 239.08247 157.1
[M-H]- 215.08597 148.1
[M+NH4]+ 234.12707 163.2
[M+K]+ 255.05641 154.4
[M+H-H2O]+ 199.09051 136.0
[M+HCOO]- 261.09145 155.6
[M+CH3COO]- 275.10710 191.7
[M+Na-2H]- 237.06792 149.8
[M]+ 216.09270 142.9
[M]- 216.09380 142.9
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.