CID 63289970

1-(3-methoxypropanesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C8H18N2O3S
SMILES
COCCCS(=O)(=O)N1CCNCC1
InChI
InChI=1S/C8H18N2O3S/c1-13-7-2-8-14(11,12)10-5-3-9-4-6-10/h9H,2-8H2,1H3
InChIKey
WVXVCSZEIPYIAZ-UHFFFAOYSA-N
Compound name
1-(3-methoxypropylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10382 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111096 149.5
[M+Na]+ 245.093038 154.6
[M-H]- 221.096544 147.9
[M+NH4]+ 240.137643 164.5
[M+K]+ 261.066978 152.1
[M+H-H2O]+ 205.101080 142.7
[M+HCOO]- 267.102021 160.2
[M+CH3COO]- 281.117671 180.8
[M+Na-2H]- 243.078486 152.2
[M]+ 222.10327142 148.4
[M]- 222.10436858 148.4
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

No patent data available for this compound.