CID 85822

15260-83-0

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CC1(C(NCS1)C(=O)O)C

InChI

InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)

InChIKey

PMQQFSDIECYOQV-UHFFFAOYSA-N

Compound name

5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1080
Patents: 161.05106 Da
Monoisotopic Mass: -1.7
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]+	162.05834	133.0
[M+Na]+	184.04028	140.6
[M-H]-	160.04378	132.7
[M+NH4]+	179.08488	155.3
[M+K]+	200.01422	138.5
[M+H-H2O]+	144.04832	129.0
[M+HCOO]-	206.04926	146.3
[M+CH3COO]-	220.06491	169.1
[M+Na-2H]-	182.02573	133.8
[M]+	161.05051	131.0
[M]-	161.05161	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe