CID 131752230

8-angeloylegelolide

Structural Information

Molecular Formula
C19H24O6
SMILES
C/C=C(\C)/C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O
InChI
InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+
InChIKey
UUYOHEAYCPQMKY-RMKNXTFCSA-N
Compound name
(9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]trideca-1(13),10-dien-7-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.1573 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.164576 177.6
[M+Na]+ 371.146518 184.5
[M-H]- 347.150024 184.7
[M+NH4]+ 366.191123 194.7
[M+K]+ 387.120458 186.0
[M+H-H2O]+ 331.154560 175.8
[M+HCOO]- 393.155501 191.3
[M+CH3COO]- 407.171151 213.2
[M+Na-2H]- 369.131966 176.0
[M]+ 348.15675142 179.6
[M]- 348.15784858 179.6
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