CID 43172966

1-[(2,5-dimethylthiophen-3-yl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula
C10H16N2O2S2
SMILES
CC1=CC(=C(S1)C)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C10H16N2O2S2/c1-8-7-10(9(2)15-8)16(13,14)12-5-3-11-4-6-12/h7,11H,3-6H2,1-2H3
InChIKey
ULZYMHZDHWUCDF-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.072576 157.3
[M+Na]+ 283.054518 165.4
[M-H]- 259.058024 159.8
[M+NH4]+ 278.099123 173.5
[M+K]+ 299.028458 160.4
[M+H-H2O]+ 243.062560 151.5
[M+HCOO]- 305.063501 164.3
[M+CH3COO]- 319.079151 187.5
[M+Na-2H]- 281.039966 155.8
[M]+ 260.06475142 155.9
[M]- 260.06584858 155.9
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

No patent data available for this compound.