CID 11252736

4-(2-tetrahydro-2h-pyranoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CCOC(C1)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H14O3/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h4-7,9,12H,1-3,8H2

InChIKey

QYKABQMBXCBINA-UHFFFAOYSA-N

Compound name

4-(oxan-2-yloxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1290
Patents: 206.0943 Da
Monoisotopic Mass: 2.2
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]+	207.10158	143.3
[M+Na]+	229.08352	148.9
[M-H]-	205.08702	150.0
[M+NH4]+	224.12812	160.5
[M+K]+	245.05746	148.2
[M+H-H2O]+	189.09156	136.2
[M+HCOO]-	251.09250	164.1
[M+CH3COO]-	265.10815	183.4
[M+Na-2H]-	227.06897	149.8
[M]+	206.09375	142.0
[M]-	206.09485	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe