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

8
Patents

292.20386 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.211136 172.6
[M+Na]+ 315.193078 178.1
[M-H]- 291.196584 175.1
[M+NH4]+ 310.237683 188.5
[M+K]+ 331.167018 175.0
[M+H-H2O]+ 275.201120 165.1
[M+HCOO]- 337.202061 195.0
[M+CH3COO]- 351.217711 205.9
[M+Na-2H]- 313.178526 174.5
[M]+ 292.20331142 180.2
[M]- 292.20440858 180.2
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

patents stripe