CID 122164064

Tert-butyl 2-[(chlorosulfonyl)methyl]morpholine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₅S

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C10H18ClNO5S/c1-10(2,3)17-9(13)12-4-5-16-8(6-12)7-18(11,14)15/h8H,4-7H2,1-3H3

InChIKey

UIXRWCSPFYYEDC-UHFFFAOYSA-N

Compound name

tert-butyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.05942 Da
Monoisotopic Mass: 1.0
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]+	300.066696	161.8
[M+Na]+	322.048638	168.2
[M-H]-	298.052144	164.5
[M+NH4]+	317.093243	175.8
[M+K]+	338.022578	167.2
[M+H-H2O]+	282.056680	157.0
[M+HCOO]-	344.057621	167.7
[M+CH3COO]-	358.073271	194.4
[M+Na-2H]-	320.034086	164.9
[M]+	299.05887142	166.5
[M]-	299.05996858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.