CID 3058792

75606-62-1

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CC1(NCCS1)CCCCC#C

InChI

InChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,11H,4-9H2,2H3

InChIKey

GRGFWTLYMYOBLX-UHFFFAOYSA-N

Compound name

2-hex-5-ynyl-2-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 2.4
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	136.2
[M+Na]+	206.09739	145.3
[M+NH4]+	201.14199	142.6
[M+K]+	222.07133	134.4
[M-H]-	182.10089	129.1
[M+Na-2H]-	204.08284	138.4
[M]+	183.10762	135.1
[M]-	183.10872	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.