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]+ 223.11110 149.5
[M+Na]+ 245.09304 154.6
[M-H]- 221.09654 147.9
[M+NH4]+ 240.13764 164.5
[M+K]+ 261.06698 152.1
[M+H-H2O]+ 205.10108 142.7
[M+HCOO]- 267.10202 160.2
[M+CH3COO]- 281.11767 180.8
[M+Na-2H]- 243.07849 152.2
[M]+ 222.10327 148.4
[M]- 222.10437 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.