CID 3065225

107321-77-7

Structural Information

Molecular Formula

C₇H₁₂N₂O₃S

SMILES

CC1N(C(CS1)C(=O)O)C(=O)CN

InChI

InChI=1S/C7H12N2O3S/c1-4-9(6(10)2-8)5(3-13-4)7(11)12/h4-5H,2-3,8H2,1H3,(H,11,12)

InChIKey

AOXVAZDEEBFZSZ-UHFFFAOYSA-N

Compound name

3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.05687 Da
Monoisotopic Mass: -2.9
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]+	205.064146	144.2
[M+Na]+	227.046088	150.8
[M-H]-	203.049594	144.8
[M+NH4]+	222.090693	163.0
[M+K]+	243.020028	148.9
[M+H-H2O]+	187.054130	138.6
[M+HCOO]-	249.055071	158.4
[M+CH3COO]-	263.070721	182.1
[M+Na-2H]-	225.031536	141.4
[M]+	204.05632142	142.7
[M]-	204.05741858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.