CID 47003396

4-benzylmorpholine-2-carbothioamide

Structural Information

Molecular Formula
C12H16N2OS
SMILES
C1COC(CN1CC2=CC=CC=C2)C(=S)N
InChI
InChI=1S/C12H16N2OS/c13-12(16)11-9-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,16)
InChIKey
CTMPIXXXJGQABE-UHFFFAOYSA-N
Compound name
4-benzylmorpholine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 152.2
[M+Na]+ 259.08755 163.4
[M+NH4]+ 254.13215 160.8
[M+K]+ 275.06149 155.4
[M-H]- 235.09105 157.6
[M+Na-2H]- 257.07300 158.2
[M]+ 236.09778 155.7
[M]- 236.09888 155.7
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.