CID 373270

Nsc649423

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CC1CCCN(C1=S)CCCC=C

InChI

InChI=1S/C11H19NS/c1-3-4-5-8-12-9-6-7-10(2)11(12)13/h3,10H,1,4-9H2,2H3

InChIKey

WJPOKTWMHZMQLE-UHFFFAOYSA-N

Compound name

3-methyl-1-pent-4-enylpiperidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.12383 Da
Monoisotopic Mass: 2.8
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]+	198.131106	144.7
[M+Na]+	220.113048	150.8
[M-H]-	196.116554	146.3
[M+NH4]+	215.157653	163.6
[M+K]+	236.086988	147.0
[M+H-H2O]+	180.121090	138.5
[M+HCOO]-	242.122031	158.1
[M+CH3COO]-	256.137681	185.5
[M+Na-2H]-	218.098496	144.2
[M]+	197.12328142	143.2
[M]-	197.12437858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.