CID 64274

27866-24-6

Structural Information

Molecular Formula

C₂₀H₃₅NO₂

SMILES

C1CCC(CC1)NCC(COCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C20H35NO2/c22-19(12-21-18-4-2-1-3-5-18)13-23-14-20-9-15-6-16(10-20)8-17(7-15)11-20/h15-19,21-22H,1-14H2

InChIKey

JVIGMYCEKLTUFH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 321.26678 Da
Monoisotopic Mass: 3.7
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]+	322.274056	175.2
[M+Na]+	344.255998	170.6
[M-H]-	320.259504	169.4
[M+NH4]+	339.300603	194.2
[M+K]+	360.229938	166.6
[M+H-H2O]+	304.264040	166.8
[M+HCOO]-	366.264981	175.7
[M+CH3COO]-	380.280631	179.0
[M+Na-2H]-	342.241446	181.1
[M]+	321.26623142	170.1
[M]-	321.26732858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.