CID 3724387

109660-12-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1(COC(=N1)C2=CC=CC=N2)C

InChI

InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3

InChIKey

ZANPCQHDEUORJP-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 176.09496 Da
Monoisotopic Mass: 1.3
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]+	177.10224	135.2
[M+Na]+	199.08418	144.5
[M-H]-	175.08768	140.3
[M+NH4]+	194.12878	155.2
[M+K]+	215.05812	143.5
[M+H-H2O]+	159.09222	127.9
[M+HCOO]-	221.09316	157.0
[M+CH3COO]-	235.10881	149.3
[M+Na-2H]-	197.06963	142.9
[M]+	176.09441	136.0
[M]-	176.09551	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe