CID 54675786

2-hydroxy-6-oxo-6-(2-hydroxyphenoxy)hexa-2,4-dienoate

Structural Information

Molecular Formula
C12H10O6
SMILES
C1=CC=C(C(=C1)O)OC(=O)/C=C\C=C(/C(=O)O)\O
InChI
InChI=1S/C12H10O6/c13-8-4-1-2-6-10(8)18-11(15)7-3-5-9(14)12(16)17/h1-7,13-14H,(H,16,17)/b7-3-,9-5+
InChIKey
CULGWEQEASHZHP-NINQLNBYSA-N
Compound name
(2E,4Z)-2-hydroxy-6-(2-hydroxyphenoxy)-6-oxohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

250.04774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05502 152.4
[M+Na]+ 273.03696 158.2
[M-H]- 249.04046 151.8
[M+NH4]+ 268.08156 166.9
[M+K]+ 289.01090 155.5
[M+H-H2O]+ 233.04500 146.5
[M+HCOO]- 295.04594 170.5
[M+CH3COO]- 309.06159 184.0
[M+Na-2H]- 271.02241 153.2
[M]+ 250.04719 151.8
[M]- 250.04829 151.8
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

patents stripe