CID 415294

62937-96-6

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

869
Patents

178.0776 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 138.0
[M+Na]+ 201.066818 144.2
[M-H]- 177.070324 136.8
[M+NH4]+ 196.111423 154.9
[M+K]+ 217.040758 141.7
[M+H-H2O]+ 161.074860 131.8
[M+HCOO]- 223.075801 149.1
[M+CH3COO]- 237.091451 172.7
[M+Na-2H]- 199.052266 141.4
[M]+ 178.07705142 134.8
[M]- 178.07814858 134.8
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