CID 24837246

93101-77-0

Structural Information

Molecular Formula

C₁₈H₂₇NO₃

SMILES

CC(=C)C1(CCCC1)C(C(=O)OCC2=CN3CCC2CC3)O

InChI

InChI=1S/C18H27NO3/c1-13(2)18(7-3-4-8-18)16(20)17(21)22-12-15-11-19-9-5-14(15)6-10-19/h11,14,16,20H,1,3-10,12H2,2H3

InChIKey

LONKCHBENQUWPE-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2-(1-prop-1-en-2-ylcyclopentyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.1991 Da
Monoisotopic Mass: 3.0
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]+	306.206376	175.7
[M+Na]+	328.188318	176.1
[M-H]-	304.191824	171.3
[M+NH4]+	323.232923	195.9
[M+K]+	344.162258	172.9
[M+H-H2O]+	288.196360	169.8
[M+HCOO]-	350.197301	180.4
[M+CH3COO]-	364.212951	206.4
[M+Na-2H]-	326.173766	178.1
[M]+	305.19855142	174.6
[M]-	305.19964858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.