CID 2728595

135111-48-7

Structural Information

Molecular Formula
C13H14O5
SMILES
CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)O)C
InChI
InChI=1S/C13H14O5/c1-13(2)6-10(14)9-4-3-8(5-11(9)18-13)17-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKey
JOJCMTSSOUZRSI-UHFFFAOYSA-N
Compound name
2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 152.8
[M+Na]+ 273.07334 164.6
[M+NH4]+ 268.11794 161.1
[M+K]+ 289.04728 158.2
[M-H]- 249.07684 154.6
[M+Na-2H]- 271.05879 157.4
[M]+ 250.08357 155.0
[M]- 250.08467 155.0
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