CID 99271

1-piperidinecarboxamide, n,n-diethylthio-

Structural Information

Molecular Formula

C₁₀H₂₀N₂S

SMILES

CCN(CC)C(=S)N1CCCCC1

InChI

InChI=1S/C10H20N2S/c1-3-11(4-2)10(13)12-8-6-5-7-9-12/h3-9H2,1-2H3

InChIKey

KSFMTNWDMJNIKE-UHFFFAOYSA-N

Compound name

N,N-diethylpiperidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.13472 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.141996	147.2
[M+Na]+	223.123938	150.7
[M-H]-	199.127444	149.6
[M+NH4]+	218.168543	165.8
[M+K]+	239.097878	149.5
[M+H-H2O]+	183.131980	140.0
[M+HCOO]-	245.132921	161.1
[M+CH3COO]-	259.148571	188.9
[M+Na-2H]-	221.109386	147.1
[M]+	200.13417142	144.9
[M]-	200.13526858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe