CID 1580621

24076-33-3

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-11-19-15-10-9-14(13-17)12-16(15)18-2/h9-10,12-13H,3-8,11H2,1-2H3
InChIKey
QMKWJIBTLNGQMS-UHFFFAOYSA-N
Compound name
3-methoxy-4-octoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

264.17255 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 163.3
[M+Na]+ 287.16177 169.8
[M-H]- 263.16527 166.3
[M+NH4]+ 282.20637 180.4
[M+K]+ 303.13571 167.2
[M+H-H2O]+ 247.16981 156.3
[M+HCOO]- 309.17075 186.4
[M+CH3COO]- 323.18640 199.9
[M+Na-2H]- 285.14722 166.4
[M]+ 264.17200 170.2
[M]- 264.17310 170.2
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