CID 142801

50991-08-7

Structural Information

Molecular Formula

C₁₃H₂₄

SMILES

CC1CCCCC1C2CCCCC2

InChI

InChI=1S/C13H24/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h11-13H,2-10H2,1H3

InChIKey

SRCQYSQCKOUHTG-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-methylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 180.1878 Da
Monoisotopic Mass: 6.0
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]+	181.19508	145.2
[M+Na]+	203.17702	146.9
[M-H]-	179.18052	149.9
[M+NH4]+	198.22162	164.6
[M+K]+	219.15096	144.6
[M+H-H2O]+	163.18506	138.4
[M+HCOO]-	225.18600	161.2
[M+CH3COO]-	239.20165	182.4
[M+Na-2H]-	201.16247	146.9
[M]+	180.18725	135.5
[M]-	180.18835	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe