CID 11469993

1-bromo-4-tert-butylcyclohex-1-ene

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

CC(C)(C)C1CCC(=CC1)Br

InChI

InChI=1S/C10H17Br/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3

InChIKey

RKWFCRMSUIJAOJ-UHFFFAOYSA-N

Compound name

1-bromo-4-tert-butylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 216.05136 Da
Monoisotopic Mass: 4.1
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]+	217.05864	142.0
[M+Na]+	239.04058	144.6
[M+NH4]+	234.08518	147.8
[M+K]+	255.01452	144.2
[M-H]-	215.04408	142.8
[M+Na-2H]-	237.02603	145.1
[M]+	216.05081	141.5
[M]-	216.05191	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe