CID 14775612

(s)-3-boc-thiazolidine-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₅NO₄S

SMILES

CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)O

InChI

InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-4-5-15-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1

InChIKey

HYAXPNDMEODKHI-LURJTMIESA-N

Compound name

(2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 351
Patents: 233.07217 Da
Monoisotopic Mass: 1.3
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]+	234.079446	153.0
[M+Na]+	256.061388	159.2
[M-H]-	232.064894	153.9
[M+NH4]+	251.105993	171.2
[M+K]+	272.035328	158.4
[M+H-H2O]+	216.069430	148.0
[M+HCOO]-	278.070371	165.1
[M+CH3COO]-	292.086021	183.5
[M+Na-2H]-	254.046836	151.6
[M]+	233.07162142	154.5
[M]-	233.07271858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe