CID 155943746

2613381-70-5

Structural Information

Molecular Formula

SMILES

CSC1CC(C1)CBr

InChI

InChI=1S/C6H11BrS/c1-8-6-2-5(3-6)4-7/h5-6H,2-4H2,1H3

InChIKey

OYQNGMISOPHZKF-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-methylsulfanylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.97649 Da
Monoisotopic Mass: 2.4
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]+	194.98377	118.2
[M+Na]+	216.96571	116.9
[M+NH4]+	212.01031	121.3
[M+K]+	232.93965	117.5
[M-H]-	192.96921	116.9
[M+Na-2H]-	214.95116	119.4
[M]+	193.97594	115.9
[M]-	193.97704	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.