CID 47003192

4-(thiomorpholine-4-carbonyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C11H20N2OS
SMILES
C1CC(CCC1C(=O)N2CCSCC2)N
InChI
InChI=1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2
InChIKey
RSHLHEJTFQCQEN-UHFFFAOYSA-N
Compound name
(4-aminocyclohexyl)-thiomorpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12964 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13692 152.5
[M+Na]+ 251.11886 154.5
[M-H]- 227.12236 155.4
[M+NH4]+ 246.16346 168.5
[M+K]+ 267.09280 151.7
[M+H-H2O]+ 211.12690 144.9
[M+HCOO]- 273.12784 162.5
[M+CH3COO]- 287.14349 188.3
[M+Na-2H]- 249.10431 150.9
[M]+ 228.12909 143.6
[M]- 228.13019 143.6
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.