CID 64119802

1338983-44-0

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CC1CN(CC(S1)C)CCC#C

InChI

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

InChIKey

OZYHNTYTVGLUHX-UHFFFAOYSA-N

Compound name

4-but-3-ynyl-2,6-dimethylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 2.1
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	138.7
[M+Na]+	206.09739	147.7
[M-H]-	182.10089	140.1
[M+NH4]+	201.14199	156.4
[M+K]+	222.07133	144.2
[M+H-H2O]+	166.10543	127.2
[M+HCOO]-	228.10637	147.5
[M+CH3COO]-	242.12202	190.6
[M+Na-2H]-	204.08284	138.9
[M]+	183.10762	132.7
[M]-	183.10872	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.