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]+ 201.09100 143.8
[M+Na]+ 223.07294 151.5
[M-H]- 199.07644 145.9
[M+NH4]+ 218.11754 162.6
[M+K]+ 239.04688 146.3
[M+H-H2O]+ 183.08098 138.2
[M+HCOO]- 245.08192 166.9
[M+CH3COO]- 259.09757 180.5
[M+Na-2H]- 221.05839 148.8
[M]+ 200.08317 143.6
[M]- 200.08427 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.