CID 5276205

Chembl4459358

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)O

InChI

InChI=1S/C15H22N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-14,18H,3-9H2

InChIKey

CPYRWQXGEGGVIE-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 246.17322 Da
Monoisotopic Mass: 2.2
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]+	247.18050	156.0
[M+Na]+	269.16244	157.7
[M-H]-	245.16594	150.4
[M+NH4]+	264.20704	178.3
[M+K]+	285.13638	153.6
[M+H-H2O]+	229.17048	147.7
[M+HCOO]-	291.17142	160.2
[M+CH3COO]-	305.18707	163.3
[M+Na-2H]-	267.14789	163.6
[M]+	246.17267	154.9
[M]-	246.17377	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe