CID 2756508

391248-13-8

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CSC[C@H]1CN

InChI

InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m1/s1

InChIKey

XRUIGLRQDKZXKJ-SSDOTTSWSA-N

Compound name

tert-butyl (4R)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.1089 Da
Monoisotopic Mass: 0.8
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]+	219.11618	151.6
[M+Na]+	241.09812	158.0
[M+NH4]+	236.14272	158.3
[M+K]+	257.07206	154.5
[M-H]-	217.10162	150.9
[M+Na-2H]-	239.08357	152.7
[M]+	218.10835	152.3
[M]-	218.10945	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe