CID 131752734

Angeloylsenkyunolide f

Structural Information

Molecular Formula
C17H20O4
SMILES
CCC(/C=C/1\C2=C(C=CCC2)C(=O)O1)OC(=O)/C(=C/C)/C
InChI
InChI=1S/C17H20O4/c1-4-11(3)16(18)20-12(5-2)10-15-13-8-6-7-9-14(13)17(19)21-15/h4,7,9-10,12H,5-6,8H2,1-3H3/b11-4+,15-10+
InChIKey
JZZIVNUYKVAAGC-JZFHRPHZSA-N
Compound name
[(1E)-1-(3-oxo-6,7-dihydro-2-benzofuran-1-ylidene)butan-2-yl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

288.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 168.9
[M+Na]+ 311.12539 174.4
[M-H]- 287.12889 173.2
[M+NH4]+ 306.16999 185.9
[M+K]+ 327.09933 172.4
[M+H-H2O]+ 271.13343 163.3
[M+HCOO]- 333.13437 186.1
[M+CH3COO]- 347.15002 201.4
[M+Na-2H]- 309.11084 167.7
[M]+ 288.13562 170.5
[M]- 288.13672 170.5
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

patents stripe