CID 726387

304896-83-1

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)O
InChI
InChI=1S/C16H16O5/c1-9-6-12(20-8-14(17)18)15-10-4-2-3-5-11(10)16(19)21-13(15)7-9/h6-7H,2-5,8H2,1H3,(H,17,18)
InChIKey
UOCZEAJIBFMNTF-UHFFFAOYSA-N
Compound name
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
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

patents stripe