CID 3074572

Adamantane-2-spiro(2'-thiazolidine-4'-carboxylic acid) hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO₂S

SMILES

C1C2CC3CC1CC(C2)C34NCC(S4)C(=O)O

InChI

InChI=1S/C13H19NO2S/c15-12(16)11-6-14-13(17-11)9-2-7-1-8(4-9)5-10(13)3-7/h7-11,14H,1-6H2,(H,15,16)

InChIKey

MSMFJIJDQJCKOW-UHFFFAOYSA-N

Compound name

spiro[1,3-thiazolidine-2,2'-adamantane]-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.11365 Da
Monoisotopic Mass: -0.1
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]+	254.120926	153.5
[M+Na]+	276.102868	155.1
[M-H]-	252.106374	147.0
[M+NH4]+	271.147473	177.0
[M+K]+	292.076808	151.6
[M+H-H2O]+	236.110910	149.0
[M+HCOO]-	298.111851	151.1
[M+CH3COO]-	312.127501	160.5
[M+Na-2H]-	274.088316	159.2
[M]+	253.11310142	152.2
[M]-	253.11419858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.