CID 44147396

78641-40-4

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C17H16O6/c1-22-14-8-2-11(3-9-14)10-23-17(21)15(16(19)20)12-4-6-13(18)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKey
JHALLYTYXLWETG-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 170.1
[M+Na]+ 339.08392 175.4
[M-H]- 315.08742 174.1
[M+NH4]+ 334.12852 182.4
[M+K]+ 355.05786 173.4
[M+H-H2O]+ 299.09196 162.3
[M+HCOO]- 361.09290 189.0
[M+CH3COO]- 375.10855 201.4
[M+Na-2H]- 337.06937 170.8
[M]+ 316.09415 172.5
[M]- 316.09525 172.5
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.