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

literature stripe

Patent stripe

patents stripe