CID 65991371

(1-methanesulfonylazetidin-3-yl)methanamine

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CS(=O)(=O)N1CC(C1)CN

InChI

InChI=1S/C5H12N2O2S/c1-10(8,9)7-3-5(2-6)4-7/h5H,2-4,6H2,1H3

InChIKey

ZKCWWKRPEWYQBE-UHFFFAOYSA-N

Compound name

(1-methylsulfonylazetidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 164.06195 Da
Monoisotopic Mass: -1.4
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]+	165.06923	130.8
[M+Na]+	187.05117	136.4
[M-H]-	163.05467	132.4
[M+NH4]+	182.09577	143.3
[M+K]+	203.02511	138.1
[M+H-H2O]+	147.05921	119.0
[M+HCOO]-	209.06015	145.8
[M+CH3COO]-	223.07580	180.0
[M+Na-2H]-	185.03662	133.5
[M]+	164.06140	139.1
[M]-	164.06250	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe