CID 11117257

5-methoxychroman-3-carboxylic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC=CC2=C1CC(CO2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey
XMGAJGALUQJCQE-UHFFFAOYSA-N
Compound name
5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

208.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.1
[M+Na]+ 231.06278 154.2
[M+NH4]+ 226.10738 150.1
[M+K]+ 247.03672 149.4
[M-H]- 207.06628 144.7
[M+Na-2H]- 229.04823 146.4
[M]+ 208.07301 144.4
[M]- 208.07411 144.4
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

patents stripe