CID 3040236

51859-52-0

Structural Information

Molecular Formula

C₁₀H₁₉NS

SMILES

CC(=CCCC1(NCCS1)C)C

InChI

InChI=1S/C10H19NS/c1-9(2)5-4-6-10(3)11-7-8-12-10/h5,11H,4,6-8H2,1-3H3

InChIKey

AKZUCKGWNUEJOX-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylpent-3-enyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.12383 Da
Monoisotopic Mass: 2.9
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]+	186.13111	144.1
[M+Na]+	208.11305	149.9
[M-H]-	184.11655	144.4
[M+NH4]+	203.15765	166.2
[M+K]+	224.08699	147.0
[M+H-H2O]+	168.12109	139.1
[M+HCOO]-	230.12203	157.3
[M+CH3COO]-	244.13768	177.9
[M+Na-2H]-	206.09850	143.6
[M]+	185.12328	142.1
[M]-	185.12438	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe