CID 16227412

4-[(oxolan-2-yl)methoxy]benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CC(OC1)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H14O3/c13-8-10-3-5-11(6-4-10)15-9-12-2-1-7-14-12/h3-6,8,12H,1-2,7,9H2

InChIKey

XNNTWUIEFDDWBO-UHFFFAOYSA-N

Compound name

4-(oxolan-2-ylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 206.0943 Da
Monoisotopic Mass: 1.8
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	143.6
[M+Na]+	229.08352	150.2
[M-H]-	205.08702	150.6
[M+NH4]+	224.12812	162.7
[M+K]+	245.05746	149.3
[M+H-H2O]+	189.09156	137.3
[M+HCOO]-	251.09250	166.6
[M+CH3COO]-	265.10815	183.0
[M+Na-2H]-	227.06897	148.6
[M]+	206.09375	144.5
[M]-	206.09485	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe