CID 39554

49832-53-3

Structural Information

Molecular Formula

C₁₉H₃₂N₂

SMILES

CC1(C2CCC1(CN(C2)CC#CCN3CCCCC3)C)C

InChI

InChI=1S/C19H32N2/c1-18(2)17-9-10-19(18,3)16-21(15-17)14-8-7-13-20-11-5-4-6-12-20/h17H,4-6,9-16H2,1-3H3

InChIKey

NHVRKGMIBUOQBH-UHFFFAOYSA-N

Compound name

1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.25656 Da
Monoisotopic Mass: 3.6
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]+	289.263836	170.6
[M+Na]+	311.245778	178.2
[M-H]-	287.249284	170.5
[M+NH4]+	306.290383	188.6
[M+K]+	327.219718	168.2
[M+H-H2O]+	271.253820	156.5
[M+HCOO]-	333.254761	176.7
[M+CH3COO]-	347.270411	177.9
[M+Na-2H]-	309.231226	170.4
[M]+	288.25601142	159.8
[M]-	288.25710858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.