CID 16688

4-(tert-butyl)cyclohex-1-ene

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC(C)(C)C1CCC=CC1

InChI

InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3

InChIKey

PJTMQLHFQYFBBB-UHFFFAOYSA-N

Compound name

4-tert-butylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 138.14085 Da
Monoisotopic Mass: 3.9
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]+	139.14813	132.5
[M+Na]+	161.13007	144.3
[M+NH4]+	156.17467	142.4
[M+K]+	177.10401	137.5
[M-H]-	137.13357	135.1
[M+Na-2H]-	159.11552	139.3
[M]+	138.14030	135.0
[M]-	138.14140	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe