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

literature stripe

Patent stripe

patents stripe