CID 712914

3-isopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC(C)OC1=CC=CC(=C1)C=O

InChI

InChI=1S/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3

InChIKey

NOBKCEXLDDGYID-UHFFFAOYSA-N

Compound name

3-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 409
Patents: 164.08372 Da
Monoisotopic Mass: 2.6
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]+	165.09100	134.0
[M+Na]+	187.07294	147.0
[M+NH4]+	182.11754	142.6
[M+K]+	203.04688	140.6
[M-H]-	163.07644	136.0
[M+Na-2H]-	185.05839	141.0
[M]+	164.08317	136.4
[M]-	164.08427	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe