CID 21949316

Thiomorpholine, n-boc protected

Structural Information

Molecular Formula

C₉H₁₇NO₂S

SMILES

CC(C)(C)OC(=O)N1CCSCC1

InChI

InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-4-6-13-7-5-10/h4-7H2,1-3H3

InChIKey

CTJYSVRXJDACIO-UHFFFAOYSA-N

Compound name

tert-butyl thiomorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 203.098 Da
Monoisotopic Mass: 1.5
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]+	204.10528	146.5
[M+Na]+	226.08722	151.5
[M-H]-	202.09072	148.0
[M+NH4]+	221.13182	164.7
[M+K]+	242.06116	150.6
[M+H-H2O]+	186.09526	140.5
[M+HCOO]-	248.09620	158.3
[M+CH3COO]-	262.11185	181.2
[M+Na-2H]-	224.07267	148.1
[M]+	203.09745	145.7
[M]-	203.09855	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe