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

17
Patents

276.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 159.0
[M+Na]+ 299.08898 168.9
[M-H]- 275.09248 167.1
[M+NH4]+ 294.13358 169.9
[M+K]+ 315.06292 166.8
[M+H-H2O]+ 259.09702 152.1
[M+HCOO]- 321.09796 177.8
[M+CH3COO]- 335.11361 201.1
[M+Na-2H]- 297.07443 163.3
[M]+ 276.09921 165.8
[M]- 276.10031 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