CID 16228163

1-(pyrrolidin-1-ylsulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C8H17N3O2S
SMILES
C1CCN(C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C8H17N3O2S/c12-14(13,10-5-1-2-6-10)11-7-3-9-4-8-11/h9H,1-8H2
InChIKey
FAIWKSJXVXAVTR-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.10414 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11142 150.1
[M+Na]+ 242.09336 155.0
[M-H]- 218.09686 150.3
[M+NH4]+ 237.13796 165.5
[M+K]+ 258.06730 152.4
[M+H-H2O]+ 202.10140 142.6
[M+HCOO]- 264.10234 158.9
[M+CH3COO]- 278.11799 178.1
[M+Na-2H]- 240.07881 150.6
[M]+ 219.10359 143.9
[M]- 219.10469 143.9
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