CID 4737651

610260-63-4

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H13NO3/c1-9-13(10(2)17-14-9)8-16-12-5-3-11(7-15)4-6-12/h3-7H,8H2,1-2H3

InChIKey

LMLHECCOGOQRMS-UHFFFAOYSA-N

Compound name

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.08954 Da
Monoisotopic Mass: 2.1
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]+	232.096816	148.9
[M+Na]+	254.078758	158.9
[M-H]-	230.082264	155.8
[M+NH4]+	249.123363	166.4
[M+K]+	270.052698	157.4
[M+H-H2O]+	214.086800	141.8
[M+HCOO]-	276.087741	173.1
[M+CH3COO]-	290.103391	190.3
[M+Na-2H]-	252.064206	153.7
[M]+	231.08899142	154.3
[M]-	231.09008858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.