CID 64272

27866-22-4

Structural Information

Molecular Formula

C₁₉H₃₃NO₂

SMILES

C1CCC(C1)NCC(COCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C19H33NO2/c21-18(11-20-17-3-1-2-4-17)12-22-13-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-18,20-21H,1-13H2

InChIKey

XRIXXQPMSKSNJD-UHFFFAOYSA-N

Compound name

1-(1-adamantylmethoxy)-3-(cyclopentylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 307.25113 Da
Monoisotopic Mass: 3.2
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]+	308.258406	171.7
[M+Na]+	330.240348	168.7
[M-H]-	306.243854	166.7
[M+NH4]+	325.284953	193.4
[M+K]+	346.214288	164.4
[M+H-H2O]+	290.248390	164.8
[M+HCOO]-	352.249331	174.9
[M+CH3COO]-	366.264981	176.9
[M+Na-2H]-	328.225796	176.4
[M]+	307.25058142	168.6
[M]-	307.25167858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe