CID 66469852

1-(bromomethyl)-4-(propan-2-yl)cyclohexane

Structural Information

Molecular Formula

C₁₀H₁₉Br

SMILES

CC(C)C1CCC(CC1)CBr

InChI

InChI=1S/C10H19Br/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7H2,1-2H3

InChIKey

SLGIPQIZUHYPMB-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-propan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.06702 Da
Monoisotopic Mass: 4.4
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]+	219.074296	147.1
[M+Na]+	241.056238	155.1
[M-H]-	217.059744	152.3
[M+NH4]+	236.100843	169.2
[M+K]+	257.030178	144.9
[M+H-H2O]+	201.064280	147.5
[M+HCOO]-	263.065221	163.6
[M+CH3COO]-	277.080871	187.8
[M+Na-2H]-	239.041686	150.7
[M]+	218.06647142	161.5
[M]-	218.06756858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe