CID 131752129

(1alpha,4alpha,5beta,6alpha,11betah)-1,4-epoxy-5-hydroxy-10(14)-germacren-12,6-olide

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1C2CCC(=C)C3CCC(O3)(C(C2OC1=O)O)C
InChI
InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-12(10)13(16)15(3)7-6-11(8)19-15/h9-13,16H,1,4-7H2,2-3H3
InChIKey
XJRRUWSFQFWDFM-UHFFFAOYSA-N
Compound name
2-hydroxy-1,6-dimethyl-10-methylidene-4,14-dioxatricyclo[9.2.1.03,7]tetradecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 189.7
[M+Na]+ 289.14102 190.9
[M+NH4]+ 284.18562 190.9
[M+K]+ 305.11496 189.3
[M-H]- 265.14452 190.0
[M+Na-2H]- 287.12647 188.1
[M]+ 266.15125 190.0
[M]- 266.15235 190.0
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