CID 249807

2-propoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CCCOC1=CC=CC=C1C=O

InChI

InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6,8H,2,7H2,1H3

InChIKey

CDUPASLURGOXGD-UHFFFAOYSA-N

Compound name

2-propoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 356
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	133.9
[M+Na]+	187.07294	147.2
[M+NH4]+	182.11754	142.6
[M+K]+	203.04688	140.0
[M-H]-	163.07644	136.1
[M+Na-2H]-	185.05839	141.3
[M]+	164.08317	136.4
[M]-	164.08427	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe