CID 6619508

1-(1h-imidazole-4-sulfonyl)piperidine

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CN=CN2
InChI
InChI=1S/C8H13N3O2S/c12-14(13,8-6-9-7-10-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10)
InChIKey
VBJGSBBFUYFEIL-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-5-ylsulfonyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.080126 146.9
[M+Na]+ 238.062068 153.9
[M-H]- 214.065574 148.0
[M+NH4]+ 233.106673 162.6
[M+K]+ 254.036008 150.7
[M+H-H2O]+ 198.070110 139.5
[M+HCOO]- 260.071051 158.6
[M+CH3COO]- 274.086701 177.3
[M+Na-2H]- 236.047516 149.3
[M]+ 215.07230142 143.4
[M]- 215.07339858 143.4
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.