CID 363671

2-[(3,4-dimethyl-2-oxo-2h-chromen-7-yl)oxy]propanoic acid

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)O)C
InChI
InChI=1S/C14H14O5/c1-7-8(2)14(17)19-12-6-10(4-5-11(7)12)18-9(3)13(15)16/h4-6,9H,1-3H3,(H,15,16)
InChIKey
HMPAASQVCHUFME-UHFFFAOYSA-N
Compound name
2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 153.9
[M+Na]+ 285.07336 163.5
[M-H]- 261.07686 158.8
[M+NH4]+ 280.11796 170.2
[M+K]+ 301.04730 162.7
[M+H-H2O]+ 245.08140 147.8
[M+HCOO]- 307.08234 173.6
[M+CH3COO]- 321.09799 196.9
[M+Na-2H]- 283.05881 158.2
[M]+ 262.08359 159.4
[M]- 262.08469 159.4
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.