CID 79551789

1560225-68-4

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

COC1=CC(=C(C=C1)OCC2CC3CCC2C3)C=O

InChI

InChI=1S/C16H20O3/c1-18-15-4-5-16(13(8-15)9-17)19-10-14-7-11-2-3-12(14)6-11/h4-5,8-9,11-12,14H,2-3,6-7,10H2,1H3

InChIKey

BDVVYNLCXPHIPT-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.14124 Da
Monoisotopic Mass: 3.6
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]+	261.148516	161.0
[M+Na]+	283.130458	168.1
[M-H]-	259.133964	167.1
[M+NH4]+	278.175063	183.1
[M+K]+	299.104398	164.9
[M+H-H2O]+	243.138500	155.6
[M+HCOO]-	305.139441	182.4
[M+CH3COO]-	319.155091	196.6
[M+Na-2H]-	281.115906	161.9
[M]+	260.14069142	163.6
[M]-	260.14178858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.