CID 165565480

[1-(aminomethyl)cyclobutyl]methanesulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₆H₁₂FNO₂S

SMILES

C1CC(C1)(CN)CS(=O)(=O)F

InChI

InChI=1S/C6H12FNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-5,8H2

InChIKey

RGSSOCMNJBQPJA-UHFFFAOYSA-N

Compound name

[1-(aminomethyl)cyclobutyl]methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.05728 Da
Monoisotopic Mass: 0.3
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]+	182.064556	133.9
[M+Na]+	204.046498	139.0
[M-H]-	180.050004	135.3
[M+NH4]+	199.091103	148.6
[M+K]+	220.020438	140.2
[M+H-H2O]+	164.054540	123.1
[M+HCOO]-	226.055481	148.8
[M+CH3COO]-	240.071131	181.4
[M+Na-2H]-	202.031946	137.7
[M]+	181.05673142	141.0
[M]-	181.05782858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.