CID 114958282

1596754-25-4

Structural Information

Molecular Formula
C8H17ClN2O2S
SMILES
CC(C)(C)N1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C8H17ClN2O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3
InChIKey
NCLZZPUDSXYJCE-UHFFFAOYSA-N
Compound name
4-tert-butylpiperazine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06993 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07721 151.7
[M+Na]+ 263.05915 159.3
[M-H]- 239.06265 152.5
[M+NH4]+ 258.10375 168.2
[M+K]+ 279.03309 156.1
[M+H-H2O]+ 223.06719 146.4
[M+HCOO]- 285.06813 157.6
[M+CH3COO]- 299.08378 186.1
[M+Na-2H]- 261.04460 154.6
[M]+ 240.06938 152.6
[M]- 240.07048 152.6
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.