CID 6445995

P-1906

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1(COC(=N1)/C=C/C2=CC=CO2)C

InChI

InChI=1S/C11H13NO2/c1-11(2)8-14-10(12-11)6-5-9-4-3-7-13-9/h3-7H,8H2,1-2H3/b6-5+

InChIKey

ZXXGKMMADOPDSR-AATRIKPKSA-N

Compound name

2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.10192	140.1
[M+Na]+	214.08386	151.9
[M+NH4]+	209.12846	149.6
[M+K]+	230.05780	148.2
[M-H]-	190.08736	144.8
[M+Na-2H]-	212.06931	146.9
[M]+	191.09409	143.2
[M]-	191.09519	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe