CID 766998

Adamantane-2-spiro(2'-thiazolidine) hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NS

SMILES

C1CSC2(N1)C3CC4CC(C3)CC2C4

InChI

InChI=1S/C12H19NS/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,1-7H2

InChIKey

OIKHYHCSLBSHJW-UHFFFAOYSA-N

Compound name

spiro[1,3-thiazolidine-2,2'-adamantane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 209.12383 Da
Monoisotopic Mass: 2.5
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]+	210.13111	143.4
[M+Na]+	232.11305	151.8
[M+NH4]+	227.15765	157.7
[M+K]+	248.08699	142.2
[M-H]-	208.11655	142.7
[M+Na-2H]-	230.09850	141.3
[M]+	209.12328	145.0
[M]-	209.12438	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.