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]+ 165.05463 131.9
[M+Na]+ 187.03657 139.8
[M-H]- 163.04007 133.2
[M+NH4]+ 182.08117 151.3
[M+K]+ 203.01051 136.9
[M+H-H2O]+ 147.04461 126.9
[M+HCOO]- 209.04555 153.6
[M+CH3COO]- 223.06120 171.7
[M+Na-2H]- 185.02202 137.3
[M]+ 164.04680 130.7
[M]- 164.04790 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.