CID 6437149

Alpha-hexylcinnamaldehyde, diethyl acetal

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCC/C(=C\C1=CC=CC=C1)/C(OCC)OCC
InChI
InChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+
InChIKey
QOUAYQKASAQPJF-FBMGVBCBSA-N
Compound name
[(E)-2-(diethoxymethyl)oct-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

290.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 176.7
[M+Na]+ 313.21380 179.6
[M-H]- 289.21730 178.5
[M+NH4]+ 308.25840 192.0
[M+K]+ 329.18774 176.6
[M+H-H2O]+ 273.22184 169.0
[M+HCOO]- 335.22278 196.5
[M+CH3COO]- 349.23843 205.5
[M+Na-2H]- 311.19925 176.9
[M]+ 290.22403 181.0
[M]- 290.22513 181.0
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

patents stripe