CID 95378411

(3r)-1-(cyclopropanesulfonyl)piperidin-3-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2CC2)N

InChI

InChI=1S/C8H16N2O2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h7-8H,1-6,9H2/t7-/m1/s1

InChIKey

DIFYQZGYXMOTEH-SSDOTTSWSA-N

Compound name

(3R)-1-cyclopropylsulfonylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 204.09325 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.100526	143.0
[M+Na]+	227.082468	150.4
[M-H]-	203.085974	148.0
[M+NH4]+	222.127073	155.7
[M+K]+	243.056408	146.9
[M+H-H2O]+	187.090510	136.3
[M+HCOO]-	249.091451	157.3
[M+CH3COO]-	263.107101	185.8
[M+Na-2H]-	225.067916	145.6
[M]+	204.09270142	141.9
[M]-	204.09379858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe