CID 131029287

3-hydroxy-2-(3-hydroxyphenyl)prop-2-enal

Structural Information

Molecular Formula
C9H8O3
SMILES
C1=CC(=CC(=C1)O)C(=CO)C=O
InChI
InChI=1S/C9H8O3/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-6,10,12H
InChIKey
ZRETWWDRJUWTBT-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(3-hydroxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.054626 131.9
[M+Na]+ 187.036568 139.8
[M-H]- 163.040074 133.2
[M+NH4]+ 182.081173 151.3
[M+K]+ 203.010508 136.9
[M+H-H2O]+ 147.044610 126.9
[M+HCOO]- 209.045551 153.6
[M+CH3COO]- 223.061201 171.7
[M+Na-2H]- 185.022016 137.3
[M]+ 164.04680142 130.7
[M]- 164.04789858 130.7
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.