CID 11644790

845276-37-1

Structural Information

Molecular Formula
C15H16O5
SMILES
COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)C(=O)O)OC
InChI
InChI=1S/C15H16O5/c1-18-12-7-10(15(16)17)9-5-6-11(8-3-4-8)20-13(9)14(12)19-2/h5-8,11H,3-4H2,1-2H3,(H,16,17)
InChIKey
WRCRXEDRLPPYKJ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-7,8-dimethoxy-2H-chromene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

276.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.107036 159.0
[M+Na]+ 299.088978 168.9
[M-H]- 275.092484 167.1
[M+NH4]+ 294.133583 169.9
[M+K]+ 315.062918 166.8
[M+H-H2O]+ 259.097020 152.1
[M+HCOO]- 321.097961 177.8
[M+CH3COO]- 335.113611 201.1
[M+Na-2H]- 297.074426 163.3
[M]+ 276.09921142 165.8
[M]- 276.10030858 165.8
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