CID 177800446

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

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₄S

SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)CS(=O)(=O)Cl

InChI

InChI=1S/C10H18ClNO4S/c1-9(2,3)16-8(13)12-5-10(4,6-12)7-17(11,14)15/h5-7H2,1-4H3

InChIKey

QLGDLMQEHJCEOC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.0645 Da
Monoisotopic Mass: 1.7
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]+	284.071776	154.7
[M+Na]+	306.053718	160.7
[M-H]-	282.057224	156.9
[M+NH4]+	301.098323	166.2
[M+K]+	322.027658	161.5
[M+H-H2O]+	266.061760	146.1
[M+HCOO]-	328.062701	162.0
[M+CH3COO]-	342.078351	196.0
[M+Na-2H]-	304.039166	157.9
[M]+	283.06395142	169.5
[M]-	283.06504858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.