CID 589729

76902-24-4

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

C1CCC2(CC1)NC3=C(N2)N=CC=C3

InChI

InChI=1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14)

InChIKey

OUKQLJBANRHVIM-UHFFFAOYSA-N

Compound name

spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 189.1266 Da
Monoisotopic Mass: 2.7
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]+	190.13388	144.6
[M+Na]+	212.11582	155.8
[M+NH4]+	207.16042	154.8
[M+K]+	228.08976	148.8
[M-H]-	188.11932	146.0
[M+Na-2H]-	210.10127	151.0
[M]+	189.12605	146.5
[M]-	189.12715	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe