CID 65991367

1803590-52-4

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CCS(=O)(=O)N1CC(C1)CN

InChI

InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-4-6(3-7)5-8/h6H,2-5,7H2,1H3

InChIKey

SKQIBJXOEPFHER-UHFFFAOYSA-N

Compound name

(1-ethylsulfonylazetidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 178.0776 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]+	179.084876	135.3
[M+Na]+	201.066818	140.5
[M-H]-	177.070324	136.6
[M+NH4]+	196.111423	147.3
[M+K]+	217.040758	141.9
[M+H-H2O]+	161.074860	123.3
[M+HCOO]-	223.075801	149.9
[M+CH3COO]-	237.091451	182.9
[M+Na-2H]-	199.052266	137.5
[M]+	178.07705142	143.9
[M]-	178.07814858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe