CID 874730

3-ethoxy-4-isopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCOC1=C(C=CC(=C1)C=O)OC(C)C

InChI

InChI=1S/C12H16O3/c1-4-14-12-7-10(8-13)5-6-11(12)15-9(2)3/h5-9H,4H2,1-3H3

InChIKey

BONBRXUQMCNSCR-UHFFFAOYSA-N

Compound name

3-ethoxy-4-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 115
Patents: 208.10994 Da
Monoisotopic Mass: 2.7
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]+	209.11722	145.6
[M+Na]+	231.09916	158.1
[M+NH4]+	226.14376	153.3
[M+K]+	247.07310	152.0
[M-H]-	207.10266	147.1
[M+Na-2H]-	229.08461	151.4
[M]+	208.10939	147.7
[M]-	208.11049	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe