CID 6005821

Alpha-amylcinnamaldehyde dimethyl acetal

Structural Information

Molecular Formula
C16H24O2
SMILES
CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
InChI
InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKey
QCHZKUPVENJLAW-FYWRMAATSA-N
Compound name
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

294
Patents

248.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 162.7
[M+Na]+ 271.16685 166.9
[M-H]- 247.17035 165.2
[M+NH4]+ 266.21145 179.8
[M+K]+ 287.14079 164.7
[M+H-H2O]+ 231.17489 155.7
[M+HCOO]- 293.17583 183.6
[M+CH3COO]- 307.19148 196.6
[M+Na-2H]- 269.15230 164.6
[M]+ 248.17708 166.0
[M]- 248.17818 166.0
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