CID 16228348

7-propoxy-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C13H14O4
SMILES
CCCOC1=CC2=C(C=C1)C=C(CO2)C(=O)O
InChI
InChI=1S/C13H14O4/c1-2-5-16-11-4-3-9-6-10(13(14)15)8-17-12(9)7-11/h3-4,6-7H,2,5,8H2,1H3,(H,14,15)
InChIKey
OJFOAOYCGCZPRE-UHFFFAOYSA-N
Compound name
7-propoxy-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 149.5
[M+Na]+ 257.07842 156.9
[M-H]- 233.08192 153.3
[M+NH4]+ 252.12302 166.5
[M+K]+ 273.05236 155.7
[M+H-H2O]+ 217.08646 143.2
[M+HCOO]- 279.08740 168.8
[M+CH3COO]- 293.10305 189.2
[M+Na-2H]- 255.06387 155.8
[M]+ 234.08865 152.2
[M]- 234.08975 152.2
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.