CID 1751298

428504-99-8

Structural Information

Molecular Formula
C16H18O5
SMILES
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)O
InChI
InChI=1S/C16H18O5/c1-3-4-5-11-8-15(19)21-16-10(2)13(7-6-12(11)16)20-9-14(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKey
YVTVBWFDAIAGQJ-UHFFFAOYSA-N
Compound name
2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 164.2
[M+Na]+ 313.10464 177.5
[M+NH4]+ 308.14924 170.6
[M+K]+ 329.07858 171.8
[M-H]- 289.10814 166.4
[M+Na-2H]- 311.09009 167.9
[M]+ 290.11487 166.6
[M]- 290.11597 166.6
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

No patent data available for this compound.