CID 6484130

851324-26-0

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CC(OC1)COC2=CC=CC=C2C=O

InChI

InChI=1S/C12H14O3/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,8,11H,3,5,7,9H2

InChIKey

ITNCGWPNAUAGTM-UHFFFAOYSA-N

Compound name

2-(oxolan-2-ylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	207.101576	143.6
[M+Na]+	229.083518	150.2
[M-H]-	205.087024	150.6
[M+NH4]+	224.128123	162.7
[M+K]+	245.057458	149.3
[M+H-H2O]+	189.091560	137.3
[M+HCOO]-	251.092501	166.6
[M+CH3COO]-	265.108151	183.0
[M+Na-2H]-	227.068966	148.6
[M]+	206.09375142	144.5
[M]-	206.09484858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe