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]+ 293.21114 172.6
[M+Na]+ 315.19308 178.1
[M-H]- 291.19658 175.1
[M+NH4]+ 310.23768 188.5
[M+K]+ 331.16702 175.0
[M+H-H2O]+ 275.20112 165.1
[M+HCOO]- 337.20206 195.0
[M+CH3COO]- 351.21771 205.9
[M+Na-2H]- 313.17853 174.5
[M]+ 292.20331 180.2
[M]- 292.20441 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.