CID 139425

13294-73-0

Structural Information

Molecular Formula

C₁₁H₂₀

SMILES

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

InChI

InChI=1S/C11H20/c1-9-5-7-10(8-6-9)11(2,3)4/h10H,1,5-8H2,2-4H3

InChIKey

IHNUKBZLLPOGDS-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-methylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 152.1565 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]+	153.16378	135.9
[M+Na]+	175.14572	141.2
[M-H]-	151.14922	138.9
[M+NH4]+	170.19032	157.5
[M+K]+	191.11966	139.5
[M+H-H2O]+	135.15376	131.3
[M+HCOO]-	197.15470	154.2
[M+CH3COO]-	211.17035	178.5
[M+Na-2H]-	173.13117	140.2
[M]+	152.15595	131.4
[M]-	152.15705	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe