CID 4197299

554407-95-3

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 174.9
[M+Na]+ 337.17742 176.5
[M-H]- 313.18092 172.8
[M+NH4]+ 332.22202 196.0
[M+K]+ 353.15136 172.4
[M+H-H2O]+ 297.18546 165.9
[M+HCOO]- 359.18640 181.4
[M+CH3COO]- 373.20205 182.1
[M+Na-2H]- 335.16287 183.2
[M]+ 314.18765 178.2
[M]- 314.18875 178.2
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.