CID 122163189

Tert-butyl 3-[(chlorosulfonyl)methyl]azetidine-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₆ClNO₄S

SMILES

CC(C)(C)OC(=O)N1CC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)11-4-7(5-11)6-16(10,13)14/h7H,4-6H2,1-3H3

InChIKey

DIDCZGSOSVAIRP-UHFFFAOYSA-N

Compound name

tert-butyl 3-(chlorosulfonylmethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.04886 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]+	270.056136	150.8
[M+Na]+	292.038078	156.6
[M-H]-	268.041584	152.9
[M+NH4]+	287.082683	160.9
[M+K]+	308.012018	157.3
[M+H-H2O]+	252.046120	140.6
[M+HCOO]-	314.047061	158.4
[M+CH3COO]-	328.062711	193.6
[M+Na-2H]-	290.023526	152.7
[M]+	269.04831142	164.8
[M]-	269.04940858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.