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]+ 237.105606 152.6
[M+Na]+ 259.087548 157.6
[M-H]- 235.091054 157.3
[M+NH4]+ 254.132153 167.3
[M+K]+ 275.061488 154.6
[M+H-H2O]+ 219.095590 144.8
[M+HCOO]- 281.096531 166.0
[M+CH3COO]- 295.112181 190.8
[M+Na-2H]- 257.072996 154.2
[M]+ 236.09778142 148.8
[M]- 236.09887858 148.8
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.