CID 28418345

(3r)-1-(thiophene-2-sulfonyl)piperidin-3-amine hydrochloride

Structural Information

Molecular Formula
C9H14N2O2S2
SMILES
C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CS2)N
InChI
InChI=1S/C9H14N2O2S2/c10-8-3-1-5-11(7-8)15(12,13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7,10H2/t8-/m1/s1
InChIKey
LGSIMFKVBWAZMK-MRVPVSSYSA-N
Compound name
(3R)-1-thiophen-2-ylsulfonylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.04967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05695 152.9
[M+Na]+ 269.03889 160.0
[M-H]- 245.04239 157.2
[M+NH4]+ 264.08349 170.6
[M+K]+ 285.01283 155.6
[M+H-H2O]+ 229.04693 146.9
[M+HCOO]- 291.04787 163.2
[M+CH3COO]- 305.06352 187.3
[M+Na-2H]- 267.02434 152.9
[M]+ 246.04912 150.4
[M]- 246.05022 150.4
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.