CID 2771990

314744-86-0

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)O
InChI
InChI=1S/C17H14O5/c1-9-14(21-10(2)16(18)19)8-7-12-11-5-3-4-6-13(11)17(20)22-15(9)12/h3-8,10H,1-2H3,(H,18,19)
InChIKey
VIIZLJIIHXCDDN-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.091416 163.3
[M+Na]+ 321.073358 173.6
[M-H]- 297.076864 169.2
[M+NH4]+ 316.117963 178.8
[M+K]+ 337.047298 171.6
[M+H-H2O]+ 281.081400 156.1
[M+HCOO]- 343.082341 182.9
[M+CH3COO]- 357.097991 203.7
[M+Na-2H]- 319.058806 169.8
[M]+ 298.08359142 169.8
[M]- 298.08468858 169.8
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.