CID 64156

Ethanol, 2,2'-(1-adamantylimino)di-

Structural Information

Molecular Formula

C₁₄H₂₅NO₂

SMILES

C1C2CC3CC1CC(C2)(C3)N(CCO)CCO

InChI

InChI=1S/C14H25NO2/c16-3-1-15(2-4-17)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,16-17H,1-10H2

InChIKey

ROQCVXISIDHPHZ-UHFFFAOYSA-N

Compound name

2-[1-adamantyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 239.18852 Da
Monoisotopic Mass: 1.6
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]+	240.19580	155.8
[M+Na]+	262.17774	162.6
[M+NH4]+	257.22234	167.7
[M+K]+	278.15168	153.9
[M-H]-	238.18124	153.4
[M+Na-2H]-	260.16319	151.9
[M]+	239.18797	155.9
[M]-	239.18907	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe