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]+ 315.195476 174.9
[M+Na]+ 337.177418 176.5
[M-H]- 313.180924 172.8
[M+NH4]+ 332.222023 196.0
[M+K]+ 353.151358 172.4
[M+H-H2O]+ 297.185460 165.9
[M+HCOO]- 359.186401 181.4
[M+CH3COO]- 373.202051 182.1
[M+Na-2H]- 335.162866 183.2
[M]+ 314.18765142 178.2
[M]- 314.18874858 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.