CID 64151

2-adamantanone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1C2CC3CC1CC(C2)C3=O

InChI

InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChIKey

IYKFYARMMIESOX-UHFFFAOYSA-N

Compound name

adamantan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 5434
Patents: 150.10446 Da
Monoisotopic Mass: 1.8
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]+	151.111736	130.9
[M+Na]+	173.093678	134.1
[M-H]-	149.097184	127.0
[M+NH4]+	168.138283	157.2
[M+K]+	189.067618	131.6
[M+H-H2O]+	133.101720	125.9
[M+HCOO]-	195.102661	139.5
[M+CH3COO]-	209.118311	141.3
[M+Na-2H]-	171.079126	142.0
[M]+	150.10391142	130.4
[M]-	150.10500858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe