CID 4197299

4-(adamantan-1-ylmethoxy)-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C20H26O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H26O3/c1-2-22-19-8-14(12-21)3-4-18(19)23-13-20-9-15-5-16(10-20)7-17(6-15)11-20/h3-4,8,12,15-17H,2,5-7,9-11,13H2,1H3
InChIKey
VXEULDKIQKAPHL-UHFFFAOYSA-N
Compound name
4-(1-adamantylmethoxy)-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 174.2
[M+Na]+ 337.17742 185.3
[M+NH4]+ 332.22202 186.6
[M+K]+ 353.15136 174.1
[M-H]- 313.18092 174.5
[M+Na-2H]- 335.16287 173.1
[M]+ 314.18765 176.1
[M]- 314.18875 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.