CID 43653698

1092493-87-2

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

C1CN(S(=O)(=O)C1)C2CCC(CC2)N

InChI

InChI=1S/C9H18N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h8-9H,1-7,10H2

InChIKey

VFTHSCUBKVMHLU-UHFFFAOYSA-N

Compound name

4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.1089 Da
Monoisotopic Mass: 0.0
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]+	219.116176	146.8
[M+Na]+	241.098118	153.0
[M-H]-	217.101624	151.1
[M+NH4]+	236.142723	167.6
[M+K]+	257.072058	150.4
[M+H-H2O]+	201.106160	141.0
[M+HCOO]-	263.107101	161.2
[M+CH3COO]-	277.122751	183.7
[M+Na-2H]-	239.083566	146.7
[M]+	218.10835142	141.8
[M]-	218.10944858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe