CID 130709446

1876536-02-5

Structural Information

Molecular Formula

C₁₁H₂₁NS

SMILES

CC(=CCN1CCSC(C1)(C)C)C

InChI

InChI=1S/C11H21NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h5H,6-9H2,1-4H3

InChIKey

YTCSYYGTKMBBOW-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-(3-methylbut-2-enyl)thiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.13947 Da
Monoisotopic Mass: 2.8
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]+	200.146746	145.2
[M+Na]+	222.128688	150.7
[M-H]-	198.132194	146.7
[M+NH4]+	217.173293	165.8
[M+K]+	238.102628	148.4
[M+H-H2O]+	182.136730	139.7
[M+HCOO]-	244.137671	157.3
[M+CH3COO]-	258.153321	184.9
[M+Na-2H]-	220.114136	145.7
[M]+	199.13892142	143.6
[M]-	199.14001858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.