CID 596248

1-(hydroxymethyl)adamantan-2-ol

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C1C2CC3CC1CC(C2)(C3O)CO

InChI

InChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2

InChIKey

PUFOBDWCLXCAPH-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)adamantan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 182.13068 Da
Monoisotopic Mass: 1.7
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]+	183.13796	139.8
[M+Na]+	205.11990	148.7
[M+NH4]+	200.16450	152.5
[M+K]+	221.09384	140.1
[M-H]-	181.12340	137.3
[M+Na-2H]-	203.10535	136.6
[M]+	182.13013	140.4
[M]-	182.13123	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe