CID 570934

1-vinyladamantane

Structural Information

Molecular Formula

C₁₂H₁₈

SMILES

C=CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H18/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h2,9-11H,1,3-8H2

InChIKey

HYOHWHHFTYGMJS-UHFFFAOYSA-N

Compound name

1-ethenyladamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 890
Patents: 162.14085 Da
Monoisotopic Mass: 4.5
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]+	163.14813	138.9
[M+Na]+	185.13007	149.4
[M+NH4]+	180.17467	153.1
[M+K]+	201.10401	138.6
[M-H]-	161.13357	138.1
[M+Na-2H]-	183.11552	137.4
[M]+	162.14030	140.4
[M]-	162.14140	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe