CID 64427672

1-benzylpiperidine-4-carbothioamide

Structural Information

Molecular Formula
C13H18N2S
SMILES
C1CN(CCC1C(=S)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H18N2S/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16)
InChIKey
TUMNFXQIASNCMJ-UHFFFAOYSA-N
Compound name
1-benzylpiperidine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.11906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 152.8
[M+Na]+ 257.10828 157.3
[M-H]- 233.11178 156.6
[M+NH4]+ 252.15288 168.9
[M+K]+ 273.08222 152.6
[M+H-H2O]+ 217.11632 145.0
[M+HCOO]- 279.11726 166.4
[M+CH3COO]- 293.13291 191.7
[M+Na-2H]- 255.09373 153.2
[M]+ 234.11851 147.5
[M]- 234.11961 147.5
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

patents stripe