CID 64556

1-adamantanemethanol

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

C1C2CC3CC1CC(C2)(C3)CO

InChI

InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2

InChIKey

MDVGOOIANLZFCP-UHFFFAOYSA-N

Compound name

1-adamantylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2240
Patents: 166.13577 Da
Monoisotopic Mass: 2.4
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]+	167.14305	137.8
[M+Na]+	189.12499	147.5
[M+NH4]+	184.16959	151.5
[M+K]+	205.09893	137.8
[M-H]-	165.12849	136.3
[M+Na-2H]-	187.11044	135.7
[M]+	166.13522	138.9
[M]-	166.13632	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe