CID 14173422

165253-29-2

Structural Information

Molecular Formula

SMILES

C1COCC1CBr

InChI

InChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2

InChIKey

AXQYVOIYCYAVSW-UHFFFAOYSA-N

Compound name

3-(bromomethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 595
Patents: 163.98367 Da
Monoisotopic Mass: 1.2
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]+	164.990946	130.1
[M+Na]+	186.972888	140.6
[M-H]-	162.976394	136.5
[M+NH4]+	182.017493	154.5
[M+K]+	202.946828	132.6
[M+H-H2O]+	146.980930	131.2
[M+HCOO]-	208.981871	150.6
[M+CH3COO]-	222.997521	173.4
[M+Na-2H]-	184.958336	137.8
[M]+	163.98312142	146.9
[M]-	163.98421858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe