CID 415294

1-(ethylsulfonyl)piperazine

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CCS(=O)(=O)N1CCNCC1
InChI
InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey
BIYGAOBOLDXNHM-UHFFFAOYSA-N
Compound name
1-ethylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

868
Patents

178.0776 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 138.4
[M+Na]+ 201.06682 147.3
[M+NH4]+ 196.11142 145.2
[M+K]+ 217.04076 141.3
[M-H]- 177.07032 137.1
[M+Na-2H]- 199.05227 141.3
[M]+ 178.07705 139.4
[M]- 178.07815 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe