CID 3038179

32081-40-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

CC(C)CC(C1=CC=CC=N1)C(=S)N

InChI

InChI=1S/C11H16N2S/c1-8(2)7-9(11(12)14)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14)

InChIKey

ZLCUCARGQQKEGI-UHFFFAOYSA-N

Compound name

4-methyl-2-pyridin-2-ylpentanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.10342 Da
Monoisotopic Mass: 2.0
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]+	209.11070	147.3
[M+Na]+	231.09264	152.7
[M-H]-	207.09614	148.8
[M+NH4]+	226.13724	164.6
[M+K]+	247.06658	149.5
[M+H-H2O]+	191.10068	140.3
[M+HCOO]-	253.10162	162.1
[M+CH3COO]-	267.11727	189.6
[M+Na-2H]-	229.07809	147.2
[M]+	208.10287	146.3
[M]-	208.10397	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe