CID 167723273

1-(bromomethyl)-4-methylbicyclo[2.2.2]octane

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

CC12CCC(CC1)(CC2)CBr

InChI

InChI=1S/C10H17Br/c1-9-2-5-10(8-11,6-3-9)7-4-9/h2-8H2,1H3

InChIKey

GRGZQIVJORFHRB-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-methylbicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.05136 Da
Monoisotopic Mass: 4.0
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]+	217.058636	146.5
[M+Na]+	239.040578	154.7
[M-H]-	215.044084	146.4
[M+NH4]+	234.085183	176.1
[M+K]+	255.014518	144.4
[M+H-H2O]+	199.048620	148.1
[M+HCOO]-	261.049561	156.5
[M+CH3COO]-	275.065211	159.1
[M+Na-2H]-	237.026026	159.3
[M]+	216.05081142	164.3
[M]-	216.05190858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.