CID 709161

1-(methylsulfonyl)piperazine

Structural Information

Molecular Formula
C5H12N2O2S
SMILES
CS(=O)(=O)N1CCNCC1
InChI
InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChIKey
ZZAKLGGGMWORRT-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5734
Patents

164.06195 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06923 133.7
[M+Na]+ 187.05117 140.3
[M-H]- 163.05467 132.7
[M+NH4]+ 182.09577 151.2
[M+K]+ 203.02511 138.1
[M+H-H2O]+ 147.05921 127.7
[M+HCOO]- 209.06015 145.1
[M+CH3COO]- 223.07580 169.7
[M+Na-2H]- 185.03662 137.6
[M]+ 164.06140 130.1
[M]- 164.06250 130.1
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