CID 522382

1,3-diisopropylcyclohexane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CC(C)C1CCCC(C1)C(C)C

InChI

InChI=1S/C12H24/c1-9(2)11-6-5-7-12(8-11)10(3)4/h9-12H,5-8H2,1-4H3

InChIKey

WDTCMYUFBNCSKK-UHFFFAOYSA-N

Compound name

1,3-di(propan-2-yl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 379
Patents: 168.1878 Da
Monoisotopic Mass: 5.3
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]+	169.19508	142.8
[M+Na]+	191.17702	153.2
[M+NH4]+	186.22162	152.3
[M+K]+	207.15096	146.8
[M-H]-	167.18052	145.4
[M+Na-2H]-	189.16247	147.2
[M]+	168.18725	144.9
[M]-	168.18835	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe