CID 3069314

84509-40-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1C2COC(O2)(CN1)C3=CN=CC=C3

InChI

InChI=1S/C10H12N2O2/c1-2-8(4-11-3-1)10-7-12-5-9(14-10)6-13-10/h1-4,9,12H,5-7H2

InChIKey

HPHTWLVECJQIFO-UHFFFAOYSA-N

Compound name

5-pyridin-3-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.08987 Da
Monoisotopic Mass: -0.5
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]+	193.097146	138.3
[M+Na]+	215.079088	145.1
[M-H]-	191.082594	141.1
[M+NH4]+	210.123693	156.5
[M+K]+	231.053028	144.4
[M+H-H2O]+	175.087130	131.0
[M+HCOO]-	237.088071	153.2
[M+CH3COO]-	251.103721	150.3
[M+Na-2H]-	213.064536	147.4
[M]+	192.08932142	135.4
[M]-	192.09041858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe