CID 13175542

92368-33-7

Structural Information

Molecular Formula

C₁₁H₂₁Br

SMILES

CC(C)(C)C1CCC(CC1)CBr

InChI

InChI=1S/C11H21Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10H,4-8H2,1-3H3

InChIKey

OXGDKDFWZLJUSQ-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-tert-butylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 232.08266 Da
Monoisotopic Mass: 4.8
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]+	233.08994	151.6
[M+Na]+	255.07188	160.0
[M-H]-	231.07538	157.0
[M+NH4]+	250.11648	173.5
[M+K]+	271.04582	149.5
[M+H-H2O]+	215.07992	152.4
[M+HCOO]-	277.08086	167.4
[M+CH3COO]-	291.09651	189.5
[M+Na-2H]-	253.05733	156.5
[M]+	232.08211	166.5
[M]-	232.08321	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe