CID 71528287

1368615-99-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1COCCC1(C#N)C2=CC=CC=N2

InChI

InChI=1S/C11H12N2O/c12-9-11(4-7-14-8-5-11)10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2

InChIKey

GUGBUMPRAFZQTD-UHFFFAOYSA-N

Compound name

4-pyridin-2-yloxane-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.09496 Da
Monoisotopic Mass: 0.7
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]+	189.102236	139.1
[M+Na]+	211.084178	147.8
[M-H]-	187.087684	143.2
[M+NH4]+	206.128783	155.5
[M+K]+	227.058118	144.2
[M+H-H2O]+	171.092220	125.0
[M+HCOO]-	233.093161	155.0
[M+CH3COO]-	247.108811	150.2
[M+Na-2H]-	209.069626	147.1
[M]+	188.09441142	130.9
[M]-	188.09550858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe