CID 64184

Idramantone

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1C2CC3CC(C2)(CC1C3=O)O

InChI

InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2

InChIKey

TZBDEVBNMSLVKT-UHFFFAOYSA-N

Compound name

5-hydroxyadamantan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 10477
Patents: 166.09938 Da
Monoisotopic Mass: 0.5
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]+	167.10666	136.5
[M+Na]+	189.08860	140.5
[M-H]-	165.09210	131.5
[M+NH4]+	184.13320	163.5
[M+K]+	205.06254	137.5
[M+H-H2O]+	149.09664	131.6
[M+HCOO]-	211.09758	143.7
[M+CH3COO]-	225.11323	146.4
[M+Na-2H]-	187.07405	148.1
[M]+	166.09883	136.2
[M]-	166.09993	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe