CID 10997424

Quincorine

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

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

InChI

InChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2/t8-,9-,10-/m0/s1

InChIKey

GAFZBOMPQVRGKU-GUBZILKMSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 167.13101 Da
Monoisotopic Mass: 1.1
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]+	168.13829	138.5
[M+Na]+	190.12023	143.0
[M-H]-	166.12373	132.6
[M+NH4]+	185.16483	161.8
[M+K]+	206.09417	140.0
[M+H-H2O]+	150.12827	133.9
[M+HCOO]-	212.12921	147.9
[M+CH3COO]-	226.14486	148.5
[M+Na-2H]-	188.10568	148.2
[M]+	167.13046	137.9
[M]-	167.13156	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe