CID 139026621

2155113-61-2

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CC(C)C1CN(CCS1)CCC#C

InChI

InChI=1S/C11H19NS/c1-4-5-6-12-7-8-13-11(9-12)10(2)3/h1,10-11H,5-9H2,2-3H3

InChIKey

IASVKVVBYAVYHZ-UHFFFAOYSA-N

Compound name

4-but-3-ynyl-2-propan-2-ylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.12383 Da
Monoisotopic Mass: 2.7
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]+	198.13111	141.1
[M+Na]+	220.11305	151.2
[M+NH4]+	215.15765	146.5
[M+K]+	236.08699	140.4
[M-H]-	196.11655	135.0
[M+Na-2H]-	218.09850	142.4
[M]+	197.12328	140.3
[M]-	197.12438	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.