CID 11355773

80442-95-1

Structural Information

Molecular Formula

C₇H₁₁NO₂S

SMILES

CCOC(=O)[C@@H]1CCC(=S)N1

InChI

InChI=1S/C7H11NO2S/c1-2-10-7(9)5-3-4-6(11)8-5/h5H,2-4H2,1H3,(H,8,11)/t5-/m0/s1

InChIKey

MKXRCPKGURCHRF-YFKPBYRVSA-N

Compound name

ethyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.05106 Da
Monoisotopic Mass: 0.5
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]+	174.058336	137.6
[M+Na]+	196.040278	144.8
[M-H]-	172.043784	138.5
[M+NH4]+	191.084883	158.3
[M+K]+	212.014218	142.6
[M+H-H2O]+	156.048320	132.2
[M+HCOO]-	218.049261	152.4
[M+CH3COO]-	232.064911	173.5
[M+Na-2H]-	194.025726	136.8
[M]+	173.05051142	136.7
[M]-	173.05160858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe