CID 121552636

2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula

SMILES

C1CC2C(CC1O2)CBr

InChI

InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2

InChIKey

UHZMGDQVYYPBQQ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 189.99933 Da
Monoisotopic Mass: 1.8
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]+	191.00661	141.5
[M+Na]+	212.98855	142.0
[M+NH4]+	208.03315	147.6
[M+K]+	228.96249	144.9
[M-H]-	188.99205	141.9
[M+Na-2H]-	210.97400	140.1
[M]+	189.99878	140.3
[M]-	189.99988	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe