CID 141487

2,2'-biadamantane

Structural Information

Molecular Formula

C₂₀H₃₀

SMILES

C1C2CC3CC1CC(C2)C3C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2

InChIKey

FFLXOPFAPWKULC-UHFFFAOYSA-N

Compound name

2-(2-adamantyl)adamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 270.23474 Da
Monoisotopic Mass: 6.9
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]+	271.242016	155.5
[M+Na]+	293.223958	147.3
[M-H]-	269.227464	145.4
[M+NH4]+	288.268563	176.3
[M+K]+	309.197898	141.6
[M+H-H2O]+	253.232000	143.0
[M+HCOO]-	315.232941	145.1
[M+CH3COO]-	329.248591	156.6
[M+Na-2H]-	291.209406	161.2
[M]+	270.23419142	149.3
[M]-	270.23528858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe