CID 145867071

1876557-27-5

Structural Information

Molecular Formula

C₁₁H₂₁NS

SMILES

CCC1(CN(CCS1)CC=C)CC

InChI

InChI=1S/C11H21NS/c1-4-7-12-8-9-13-11(5-2,6-3)10-12/h4H,1,5-10H2,2-3H3

InChIKey

BXXRIRVVVPSGPY-UHFFFAOYSA-N

Compound name

2,2-diethyl-4-prop-2-enylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.13947 Da
Monoisotopic Mass: 3.0
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]+	200.14675	148.1
[M+Na]+	222.12869	158.6
[M+NH4]+	217.17329	158.5
[M+K]+	238.10263	147.3
[M-H]-	198.13219	150.0
[M+Na-2H]-	220.11414	153.6
[M]+	199.13892	150.7
[M]-	199.14002	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.