CID 6478683

C4-mpalc

Structural Information

Molecular Formula
C15H18O5
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CO)O
InChI
InChI=1S/C15H18O5/c1-8(6-16)4-5-10-13(17)12-11(7-20-15(12)18)9(2)14(10)19-3/h4,16-17H,5-7H2,1-3H3/b8-4+
InChIKey
WLWZRNRYGZXHII-XBXARRHUSA-N
Compound name
7-hydroxy-6-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

278.11542 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 162.1
[M+Na]+ 301.10464 171.0
[M-H]- 277.10814 165.3
[M+NH4]+ 296.14924 179.3
[M+K]+ 317.07858 168.6
[M+H-H2O]+ 261.11268 157.5
[M+HCOO]- 323.11362 180.2
[M+CH3COO]- 337.12927 197.4
[M+Na-2H]- 299.09009 162.7
[M]+ 278.11487 166.3
[M]- 278.11597 166.3
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

No patent data available for this compound.