CID 483514

Oxypeucedanin methnolate

Structural Information

Molecular Formula
C17H18O6
SMILES
CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC
InChI
InChI=1S/C17H18O6/c1-17(2,20-3)14(18)9-22-16-10-4-5-15(19)23-13(10)8-12-11(16)6-7-21-12/h4-8,14,18H,9H2,1-3H3
InChIKey
UHENVVIVPZCJOA-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-methoxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

318.11035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11763 169.9
[M+Na]+ 341.09957 179.7
[M-H]- 317.10307 176.4
[M+NH4]+ 336.14417 185.3
[M+K]+ 357.07351 179.8
[M+H-H2O]+ 301.10761 164.5
[M+HCOO]- 363.10855 188.9
[M+CH3COO]- 377.12420 204.8
[M+Na-2H]- 339.08502 177.6
[M]+ 318.10980 179.8
[M]- 318.11090 179.8
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