CID 16213756

(2s,4s,5r)-2-hydroxymethyl-5-ethylquinuclidine

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CC[C@H]1CN2CC[C@H]1C[C@H]2CO

InChI

InChI=1S/C10H19NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m0/s1

InChIKey

CWZWBZXPEJJRSS-GUBZILKMSA-N

Compound name

[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 169.14667 Da
Monoisotopic Mass: 1.3
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]+	170.153946	140.1
[M+Na]+	192.135888	144.3
[M-H]-	168.139394	134.1
[M+NH4]+	187.180493	163.3
[M+K]+	208.109828	141.9
[M+H-H2O]+	152.143930	135.4
[M+HCOO]-	214.144871	149.3
[M+CH3COO]-	228.160521	150.0
[M+Na-2H]-	190.121336	149.6
[M]+	169.14612142	140.1
[M]-	169.14721858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe