CID 907692

2-((4,8-dimethyl-2-oxo-2h-chromen-7-yl)oxy)acetic acid

Structural Information

Molecular Formula
C13H12O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)O
InChI
InChI=1S/C13H12O5/c1-7-5-12(16)18-13-8(2)10(4-3-9(7)13)17-6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
UUOBHEVDLOLOHB-UHFFFAOYSA-N
Compound name
2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

248.06847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.075746 149.3
[M+Na]+ 271.057688 159.7
[M-H]- 247.061194 154.3
[M+NH4]+ 266.102293 166.3
[M+K]+ 287.031628 158.5
[M+H-H2O]+ 231.065730 143.2
[M+HCOO]- 293.066671 170.4
[M+CH3COO]- 307.082321 193.0
[M+Na-2H]- 269.043136 155.3
[M]+ 248.06792142 155.1
[M]- 248.06901858 155.1
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

patents stripe