CID 137945160

2260936-84-1

Structural Information

Molecular Formula

C₉H₁₇ClN₂O₄S

SMILES

CC(C)(C)OC(=O)N(C)C1CN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H17ClN2O4S/c1-9(2,3)16-8(13)11(4)7-5-12(6-7)17(10,14)15/h7H,5-6H2,1-4H3

InChIKey

CWPCBJLKWDSQPC-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-chlorosulfonylazetidin-3-yl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 284.05975 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]+	285.067026	156.3
[M+Na]+	307.048968	160.9
[M-H]-	283.052474	159.5
[M+NH4]+	302.093573	165.8
[M+K]+	323.022908	163.0
[M+H-H2O]+	267.057010	145.0
[M+HCOO]-	329.057951	165.0
[M+CH3COO]-	343.073601	201.6
[M+Na-2H]-	305.034416	157.8
[M]+	284.05920142	170.6
[M]-	284.06029858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe