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

272
Patents

192.09325 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10053 141.9
[M+Na]+ 215.08247 147.4
[M-H]- 191.08597 140.7
[M+NH4]+ 210.12707 158.3
[M+K]+ 231.05641 145.2
[M+H-H2O]+ 175.09051 135.7
[M+HCOO]- 237.09145 151.7
[M+CH3COO]- 251.10710 176.6
[M+Na-2H]- 213.06792 143.9
[M]+ 192.09270 138.5
[M]- 192.09380 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