CID 5281871

(2e)-3-(3,4-dihydroxyphenyl)prop-2-enal

Structural Information

Molecular Formula
C9H8O3
SMILES
C1=CC(=C(C=C1/C=C/C=O)O)O
InChI
InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
InChIKey
AXMVYSVVTMKQSL-OWOJBTEDSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

274
Patents

164.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 131.0
[M+Na]+ 187.03657 140.0
[M-H]- 163.04007 132.6
[M+NH4]+ 182.08117 150.7
[M+K]+ 203.01051 136.7
[M+H-H2O]+ 147.04461 126.2
[M+HCOO]- 209.04555 153.7
[M+CH3COO]- 223.06120 172.1
[M+Na-2H]- 185.02202 136.9
[M]+ 164.04680 130.8
[M]- 164.04790 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe