CID 100332

Loliolide

Structural Information

Molecular Formula
C11H16O3
SMILES
C[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O
InChI
InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
InChIKey
XEVQXKKKAVVSMW-WRWORJQWSA-N
Compound name
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

194
Patents

196.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 139.0
[M+Na]+ 219.099158 148.5
[M-H]- 195.102664 143.4
[M+NH4]+ 214.143763 163.9
[M+K]+ 235.073098 147.3
[M+H-H2O]+ 179.107200 136.2
[M+HCOO]- 241.108141 157.6
[M+CH3COO]- 255.123791 181.3
[M+Na-2H]- 217.084606 145.3
[M]+ 196.10939142 139.3
[M]- 196.11048858 139.3
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