CID 8616

Peucedanin

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC
InChI
InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
InChIKey
YQBNJPACAUPNLV-UHFFFAOYSA-N
Compound name
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

361
Patents

258.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.2
[M+Na]+ 281.07842 166.4
[M-H]- 257.08192 162.6
[M+NH4]+ 276.12302 173.2
[M+K]+ 297.05236 165.7
[M+H-H2O]+ 241.08646 148.8
[M+HCOO]- 303.08740 176.7
[M+CH3COO]- 317.10305 197.6
[M+Na-2H]- 279.06387 161.3
[M]+ 258.08865 163.2
[M]- 258.08975 163.2
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