CID 24278918

3-(7-methoxy-4-methyl-2-oxo-2h-chromen-6-yl)propanoic acid

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1=CC(=O)OC2=C1C=C(C(=C2)OC)CCC(=O)O
InChI
InChI=1S/C14H14O5/c1-8-5-14(17)19-12-7-11(18-2)9(6-10(8)12)3-4-13(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey
CZBCOPIJHZLFLZ-UHFFFAOYSA-N
Compound name
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 154.1
[M+Na]+ 285.07336 164.1
[M-H]- 261.07686 159.0
[M+NH4]+ 280.11796 170.5
[M+K]+ 301.04730 162.7
[M+H-H2O]+ 245.08140 147.9
[M+HCOO]- 307.08234 174.9
[M+CH3COO]- 321.09799 196.0
[M+Na-2H]- 283.05881 159.6
[M]+ 262.08359 160.2
[M]- 262.08469 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.