CID 717832

302551-41-3

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)O
InChI
InChI=1S/C16H16O5/c1-9-13(20-8-14(17)18)7-6-11-10-4-2-3-5-12(10)16(19)21-15(9)11/h6-7H,2-5,8H2,1H3,(H,17,18)
InChIKey
NLSCDENFKALNMR-UHFFFAOYSA-N
Compound name
2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 161.7
[M+Na]+ 311.08898 175.1
[M+NH4]+ 306.13358 169.3
[M+K]+ 327.06292 169.3
[M-H]- 287.09248 164.8
[M+Na-2H]- 309.07443 165.2
[M]+ 288.09921 164.4
[M]- 288.10031 164.4
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.