CID 3063116

Brn 4517210

Structural Information

Molecular Formula
C16H16O5
SMILES
CC(C1=CC=C(C=C1)OC2=CC=C(O2)C(=O)C)C(=O)OC
InChI
InChI=1S/C16H16O5/c1-10(16(18)19-3)12-4-6-13(7-5-12)20-15-9-8-14(21-15)11(2)17/h4-10H,1-3H3
InChIKey
RJYSGSAZQWXQBS-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 164.6
[M+Na]+ 311.08898 171.6
[M-H]- 287.09248 172.4
[M+NH4]+ 306.13358 180.4
[M+K]+ 327.06292 171.6
[M+H-H2O]+ 271.09702 157.9
[M+HCOO]- 333.09796 186.7
[M+CH3COO]- 347.11361 200.9
[M+Na-2H]- 309.07443 165.2
[M]+ 288.09921 170.5
[M]- 288.10031 170.5
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.