CID 551432

4-t-pentylcyclohexene

Structural Information

Molecular Formula

C₁₁H₂₀

SMILES

CCC(C)(C)C1CCC=CC1

InChI

InChI=1S/C11H20/c1-4-11(2,3)10-8-6-5-7-9-10/h5-6,10H,4,7-9H2,1-3H3

InChIKey

QHNHBWFHTRVZPZ-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)cyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.1565 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]+	153.16378	136.3
[M+Na]+	175.14572	141.3
[M-H]-	151.14922	139.1
[M+NH4]+	170.19032	157.5
[M+K]+	191.11966	139.9
[M+H-H2O]+	135.15376	131.2
[M+HCOO]-	197.15470	155.8
[M+CH3COO]-	211.17035	178.6
[M+Na-2H]-	173.13117	142.1
[M]+	152.15595	133.6
[M]-	152.15705	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe