CID 3004386

Nsc649428

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CC1(CCNC1=S)CCCC=C

InChI

InChI=1S/C10H17NS/c1-3-4-5-6-10(2)7-8-11-9(10)12/h3H,1,4-8H2,2H3,(H,11,12)

InChIKey

NGRXJNDOVLXBOF-UHFFFAOYSA-N

Compound name

3-methyl-3-pent-4-enylpyrrolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 2.6
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]+	184.11545	141.4
[M+Na]+	206.09739	148.6
[M-H]-	182.10089	142.0
[M+NH4]+	201.14199	163.9
[M+K]+	222.07133	144.6
[M+H-H2O]+	166.10543	136.7
[M+HCOO]-	228.10637	155.8
[M+CH3COO]-	242.12202	178.0
[M+Na-2H]-	204.08284	141.6
[M]+	183.10762	139.8
[M]-	183.10872	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.