CID 212707

7,7,9-trimethyl-1-oxa-4-thiaspiro[4.5]decane

Structural Information

Molecular Formula

C₁₁H₂₀OS

SMILES

CC1CC(CC2(C1)OCCS2)(C)C

InChI

InChI=1S/C11H20OS/c1-9-6-10(2,3)8-11(7-9)12-4-5-13-11/h9H,4-8H2,1-3H3

InChIKey

DDLLIPSMSQEADF-UHFFFAOYSA-N

Compound name

7,7,9-trimethyl-1-oxa-4-thiaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.12349 Da
Monoisotopic Mass: 3.5
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]+	201.13077	144.8
[M+Na]+	223.11271	154.6
[M+NH4]+	218.15731	157.9
[M+K]+	239.08665	144.5
[M-H]-	199.11621	149.4
[M+Na-2H]-	221.09816	151.5
[M]+	200.12294	148.3
[M]-	200.12404	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe