CID 94492

38970-72-8

Structural Information

Molecular Formula

C₁₈H₃₄

SMILES

CC(CC(C)(C)C1CCCCC1)C2CCCCC2

InChI

InChI=1S/C18H34/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3

InChIKey

XUVKLBIJXLIPDZ-UHFFFAOYSA-N

Compound name

(4-cyclohexyl-2-methylpentan-2-yl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 506
Patents: 250.26605 Da
Monoisotopic Mass: 8.2
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]+	251.27333	167.0
[M+Na]+	273.25527	165.8
[M-H]-	249.25877	170.6
[M+NH4]+	268.29987	183.2
[M+K]+	289.22921	163.1
[M+H-H2O]+	233.26331	159.8
[M+HCOO]-	295.26425	178.7
[M+CH3COO]-	309.27990	197.6
[M+Na-2H]-	271.24072	166.2
[M]+	250.26550	157.7
[M]-	250.26660	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe