CID 6476391

(z)-6-(2-benzyloxyphenyl)-2-hydroxy-4,6-dioxo-hex-2-enoic acid

Structural Information

Molecular Formula
C19H16O6
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)CC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C19H16O6/c20-14(11-17(22)19(23)24)10-16(21)15-8-4-5-9-18(15)25-12-13-6-2-1-3-7-13/h1-9,11,22H,10,12H2,(H,23,24)/b17-11-
InChIKey
ZNDIWLYYHNNPKF-BOPFTXTBSA-N
Compound name
(Z)-2-hydroxy-4,6-dioxo-6-(2-phenylmethoxyphenyl)hex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 177.0
[M+Na]+ 363.08392 180.8
[M-H]- 339.08742 180.3
[M+NH4]+ 358.12852 187.7
[M+K]+ 379.05786 177.7
[M+H-H2O]+ 323.09196 168.9
[M+HCOO]- 385.09290 194.6
[M+CH3COO]- 399.10855 205.5
[M+Na-2H]- 361.06937 176.2
[M]+ 340.09415 177.6
[M]- 340.09525 177.6
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.