CID 41809

56232-06-5

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

CCC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC(=O)C

InChI

InChI=1S/C18H25NO2/c1-4-17-18(10-6-8-15(12-18)19(17)3)14-7-5-9-16(11-14)21-13(2)20/h5,7,9,11,15,17H,4,6,8,10,12H2,1-3H3

InChIKey

KIEMMQSVADTSKH-UHFFFAOYSA-N

Compound name

[3-(7-ethyl-6-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.18854 Da
Monoisotopic Mass: 3.8
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]+	288.195816	170.7
[M+Na]+	310.177758	176.9
[M-H]-	286.181264	174.9
[M+NH4]+	305.222363	190.6
[M+K]+	326.151698	173.2
[M+H-H2O]+	270.185800	163.6
[M+HCOO]-	332.186741	186.6
[M+CH3COO]-	346.202391	203.0
[M+Na-2H]-	308.163206	171.8
[M]+	287.18799142	170.3
[M]-	287.18908858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe