CID 907295

3-(7-methoxy-4-methyl-2-oxo-2h-chromen-3-yl)propanoic acid

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)O
InChI
InChI=1S/C14H14O5/c1-8-10-4-3-9(18-2)7-12(10)19-14(17)11(8)5-6-13(15)16/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKey
RIWPTYLEWDIAJI-UHFFFAOYSA-N
Compound name
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 155.1
[M+Na]+ 285.07336 168.8
[M+NH4]+ 280.11796 161.8
[M+K]+ 301.04730 163.6
[M-H]- 261.07686 157.4
[M+Na-2H]- 283.05881 159.4
[M]+ 262.08359 157.6
[M]- 262.08469 157.6
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.