CID 165945628

7-(4-hydroxyphenyl)hepta-2,4,6-trienal

Structural Information

Molecular Formula
C13H12O2
SMILES
C1=CC(=CC=C1/C=C/C=C/C=C/C=O)O
InChI
InChI=1S/C13H12O2/c14-11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h1-11,15H/b2-1+,5-3+,6-4+
InChIKey
ZVJPTMYLOXLINF-CRQXNEITSA-N
Compound name
(2E,4E,6E)-7-(4-hydroxyphenyl)hepta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 143.8
[M+Na]+ 223.072938 151.5
[M-H]- 199.076444 145.9
[M+NH4]+ 218.117543 162.6
[M+K]+ 239.046878 146.3
[M+H-H2O]+ 183.080980 138.2
[M+HCOO]- 245.081921 166.9
[M+CH3COO]- 259.097571 180.5
[M+Na-2H]- 221.058386 148.8
[M]+ 200.08317142 143.6
[M]- 200.08426858 143.6
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.