CID 22007518

3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride dihydrochloride

Structural Information

Molecular Formula
C8H17ClN2O2S
SMILES
CN1CCN(CC1)CCCS(=O)(=O)Cl
InChI
InChI=1S/C8H17ClN2O2S/c1-10-4-6-11(7-5-10)3-2-8-14(9,12)13/h2-8H2,1H3
InChIKey
MLCQNQMRSGNESB-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.06993 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07721 150.8
[M+Na]+ 263.05915 157.9
[M-H]- 239.06265 151.1
[M+NH4]+ 258.10375 167.1
[M+K]+ 279.03309 154.3
[M+H-H2O]+ 223.06719 144.8
[M+HCOO]- 285.06813 158.1
[M+CH3COO]- 299.08378 186.3
[M+Na-2H]- 261.04460 152.7
[M]+ 240.06938 152.2
[M]- 240.07048 152.2
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