CID 22562851

1062059-60-2

Structural Information

Molecular Formula
C7H16N2O2S
SMILES
CC(C)S(=O)(=O)N1CCNCC1
InChI
InChI=1S/C7H16N2O2S/c1-7(2)12(10,11)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey
LCXAFSYDJOFYKE-UHFFFAOYSA-N
Compound name
1-propan-2-ylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

192.09325 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.100526 141.9
[M+Na]+ 215.082468 147.4
[M-H]- 191.085974 140.7
[M+NH4]+ 210.127073 158.3
[M+K]+ 231.056408 145.2
[M+H-H2O]+ 175.090510 135.7
[M+HCOO]- 237.091451 151.7
[M+CH3COO]- 251.107101 176.6
[M+Na-2H]- 213.067916 143.9
[M]+ 192.09270142 138.5
[M]- 192.09379858 138.5
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

patents stripe