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]+ 216.08013 146.9
[M+Na]+ 238.06207 153.9
[M-H]- 214.06557 148.0
[M+NH4]+ 233.10667 162.6
[M+K]+ 254.03601 150.7
[M+H-H2O]+ 198.07011 139.5
[M+HCOO]- 260.07105 158.6
[M+CH3COO]- 274.08670 177.3
[M+Na-2H]- 236.04752 149.3
[M]+ 215.07230 143.4
[M]- 215.07340 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.