CID 795044

Ursinoic acid

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1(C=CC2=C(C=CC(=C2O1)C(=O)CC(=O)O)OC)C
InChI
InChI=1S/C15H16O5/c1-15(2)7-6-10-12(19-3)5-4-9(14(10)20-15)11(16)8-13(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKey
XUXBOSSCMLZGTA-UHFFFAOYSA-N
Compound name
3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

276.09976 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 159.3
[M+Na]+ 299.08898 167.6
[M-H]- 275.09248 163.5
[M+NH4]+ 294.13358 176.6
[M+K]+ 315.06292 166.9
[M+H-H2O]+ 259.09702 153.7
[M+HCOO]- 321.09796 177.2
[M+CH3COO]- 335.11361 198.4
[M+Na-2H]- 297.07443 164.1
[M]+ 276.09921 163.7
[M]- 276.10031 163.7
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

patents stripe