CID 380281

101931-78-6

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O

InChI

InChI=1S/C15H23NO3/c1-4-7-15(18,11(2)3)14(17)19-13-10-16-8-5-12(13)6-9-16/h11-13,18H,5-6,8-10H2,1-3H3

InChIKey

PIQGPSJRLJWWML-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-propan-2-ylpent-3-ynoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 265.1678 Da
Monoisotopic Mass: 2.1
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]+	266.175076	170.7
[M+Na]+	288.157018	176.0
[M-H]-	264.160524	164.0
[M+NH4]+	283.201623	187.6
[M+K]+	304.130958	169.0
[M+H-H2O]+	248.165060	161.0
[M+HCOO]-	310.166001	171.6
[M+CH3COO]-	324.181651	206.1
[M+Na-2H]-	286.142466	175.9
[M]+	265.16725142	166.6
[M]-	265.16834858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.