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]+	271.24202	172.8
[M+Na]+	293.22396	181.0
[M+NH4]+	288.26856	187.0
[M+K]+	309.19790	171.1
[M-H]-	269.22746	171.2
[M+Na-2H]-	291.20941	161.8
[M]+	270.23419	173.7
[M]-	270.23529	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe