CID 697089

(cyclohexylamino)morpholin-4-ylmethane-1-thione

Structural Information

Molecular Formula
C11H20N2OS
SMILES
C1CCC(CC1)NC(=S)N2CCOCC2
InChI
InChI=1S/C11H20N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h10H,1-9H2,(H,12,15)
InChIKey
WFRSBKJYGRXBPG-UHFFFAOYSA-N
Compound name
N-cyclohexylmorpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

228.12964 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13692 152.4
[M+Na]+ 251.11886 153.9
[M-H]- 227.12236 156.3
[M+NH4]+ 246.16346 167.3
[M+K]+ 267.09280 152.3
[M+H-H2O]+ 211.12690 144.6
[M+HCOO]- 273.12784 162.4
[M+CH3COO]- 287.14349 187.2
[M+Na-2H]- 249.10431 153.3
[M]+ 228.12909 144.5
[M]- 228.13019 144.5
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.