CID 11008321

Trans-eldanolide

Structural Information

Molecular Formula
C10H16O2
SMILES
C[C@H]1CC(=O)O[C@@H]1CC=C(C)C
InChI
InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKey
ARNPQYFYGKMXGD-DTWKUNHWSA-N
Compound name
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.7
[M+Na]+ 191.10426 144.9
[M-H]- 167.10776 141.8
[M+NH4]+ 186.14886 159.1
[M+K]+ 207.07820 144.5
[M+H-H2O]+ 151.11230 133.2
[M+HCOO]- 213.11324 158.7
[M+CH3COO]- 227.12889 179.9
[M+Na-2H]- 189.08971 139.7
[M]+ 168.11449 137.9
[M]- 168.11559 137.9
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