CID 115070264

3-(cyclopropanesulfonyl)azetidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C1CC1S(=O)(=O)C2CNC2

InChI

InChI=1S/C6H11NO2S/c8-10(9,5-1-2-5)6-3-7-4-6/h5-7H,1-4H2

InChIKey

MKHVRSKFDJQJCZ-UHFFFAOYSA-N

Compound name

3-cyclopropylsulfonylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.05106 Da
Monoisotopic Mass: -0.4
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]+	162.058336	126.9
[M+Na]+	184.040278	133.9
[M-H]-	160.043784	131.3
[M+NH4]+	179.084883	135.0
[M+K]+	200.014218	133.8
[M+H-H2O]+	144.048320	115.4
[M+HCOO]-	206.049261	140.9
[M+CH3COO]-	220.064911	177.5
[M+Na-2H]-	182.025726	130.9
[M]+	161.05051142	136.1
[M]-	161.05160858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe