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

literature stripe

Patent stripe

patents stripe