CID 14964030

Dtxsid40839674

Structural Information

Molecular Formula

C₂₄H₃₆

SMILES

C1CCC(CC1)C2=CC(=CC(=C2)C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C24H36/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h16-21H,1-15H2

InChIKey

QVACPYMPHYFHJI-UHFFFAOYSA-N

Compound name

1,3,5-tricyclohexylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 321
Patents: 324.2817 Da
Monoisotopic Mass: 9.5
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]+	325.28898	184.3
[M+Na]+	347.27092	181.5
[M-H]-	323.27442	192.8
[M+NH4]+	342.31552	196.3
[M+K]+	363.24486	175.7
[M+H-H2O]+	307.27896	173.3
[M+HCOO]-	369.27990	194.6
[M+CH3COO]-	383.29555	190.4
[M+Na-2H]-	345.25637	180.6
[M]+	324.28115	168.8
[M]-	324.28225	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe