CID 53407693

808740-33-2

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC1=CC=CC=C1C2=NOC(=C2)C=O

InChI

InChI=1S/C11H9NO3/c1-14-11-5-3-2-4-9(11)10-6-8(7-13)15-12-10/h2-7H,1H3

InChIKey

XOISEUFQRSBSTC-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)-1,2-oxazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 203.05824 Da
Monoisotopic Mass: 1.8
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]+	204.06552	141.2
[M+Na]+	226.04746	155.4
[M+NH4]+	221.09206	149.2
[M+K]+	242.02140	151.1
[M-H]-	202.05096	145.3
[M+Na-2H]-	224.03291	149.0
[M]+	203.05769	144.4
[M]-	203.05879	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe