CID 51358502

885272-73-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1CNCC2=C1N=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2

InChIKey

ABVUBXVONZYCFA-UHFFFAOYSA-N

Compound name

2-phenyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 200.09496 Da
Monoisotopic Mass: 1.5
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]+	201.10224	143.3
[M+Na]+	223.08418	157.2
[M+NH4]+	218.12878	152.5
[M+K]+	239.05812	151.9
[M-H]-	199.08768	148.0
[M+Na-2H]-	221.06963	150.6
[M]+	200.09441	146.6
[M]-	200.09551	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe