CID 14377868

29001-66-9

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CC1NC(CS1)C(=O)OC

InChI

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

InChIKey

SIHORGCAHLFPHD-UHFFFAOYSA-N

Compound name

methyl 2-methyl-1,3-thiazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 161.05106 Da
Monoisotopic Mass: 0.7
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	134.0
[M+Na]+	184.04028	141.4
[M-H]-	160.04378	135.1
[M+NH4]+	179.08488	155.2
[M+K]+	200.01422	140.0
[M+H-H2O]+	144.04832	128.8
[M+HCOO]-	206.04926	148.9
[M+CH3COO]-	220.06491	171.4
[M+Na-2H]-	182.02573	133.7
[M]+	161.05051	133.5
[M]-	161.05161	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe