CID 3572058

4-(decyloxy)-m-anisaldehyde

Structural Information

Molecular Formula
C18H28O3
SMILES
CCCCCCCCCCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-13-21-17-12-11-16(15-19)14-18(17)20-2/h11-12,14-15H,3-10,13H2,1-2H3
InChIKey
DFLRQQOMLLBRKN-UHFFFAOYSA-N
Compound name
4-decoxy-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

292.20386 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 172.6
[M+Na]+ 315.19308 184.2
[M+NH4]+ 310.23768 179.4
[M+K]+ 331.16702 175.8
[M-H]- 291.19658 174.0
[M+Na-2H]- 313.17853 177.1
[M]+ 292.20331 174.6
[M]- 292.20441 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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