CID 98237

Schembl566692

Structural Information

Molecular Formula
C12H12O2
SMILES
COC1=CC=C(C=C1)C=CC=CC=O
InChI
InChI=1S/C12H12O2/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h2-10H,1H3
InChIKey
IMYIHKBGPIBXFG-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
Patents

188.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.090996 139.6
[M+Na]+ 211.072938 147.8
[M-H]- 187.076444 143.2
[M+NH4]+ 206.117543 159.6
[M+K]+ 227.046878 144.4
[M+H-H2O]+ 171.080980 133.8
[M+HCOO]- 233.081921 164.4
[M+CH3COO]- 247.097571 181.6
[M+Na-2H]- 209.058386 145.7
[M]+ 188.08317142 141.7
[M]- 188.08426858 141.7
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.