CID 71764449

Onoseriolide

Structural Information

Molecular Formula
C15H16O3
SMILES
C[C@@]12C=C3C(=C(C(=O)O3)CO)C[C@H]1C(=C)[C@@H]4[C@H]2C4
InChI
InChI=1S/C15H16O3/c1-7-8-3-12(8)15(2)5-13-9(4-11(7)15)10(6-16)14(17)18-13/h5,8,11-12,16H,1,3-4,6H2,2H3/t8-,11+,12-,15-/m1/s1
InChIKey
JIAZAZPRSFTUJT-ZBTLEPIDSA-N
Compound name
(1S,9S,10R,12S)-4-(hydroxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

244.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 153.5
[M+Na]+ 267.09916 166.1
[M-H]- 243.10266 160.4
[M+NH4]+ 262.14376 173.3
[M+K]+ 283.07310 160.9
[M+H-H2O]+ 227.10720 150.9
[M+HCOO]- 289.10814 169.7
[M+CH3COO]- 303.12379 166.7
[M+Na-2H]- 265.08461 156.7
[M]+ 244.10939 158.2
[M]- 244.11049 158.2
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