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]+ 235.126336 152.8
[M+Na]+ 257.108278 157.3
[M-H]- 233.111784 156.6
[M+NH4]+ 252.152883 168.9
[M+K]+ 273.082218 152.6
[M+H-H2O]+ 217.116320 145.0
[M+HCOO]- 279.117261 166.4
[M+CH3COO]- 293.132911 191.7
[M+Na-2H]- 255.093726 153.2
[M]+ 234.11851142 147.5
[M]- 234.11960858 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