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 200.3
[M+Na]+ 289.14102 201.0
[M-H]- 265.14452 199.8
[M+NH4]+ 284.18562 200.0
[M+K]+ 305.11496 199.4
[M+H-H2O]+ 249.14906 191.4
[M+HCOO]- 311.15000 200.5
[M+CH3COO]- 325.16565 201.0
[M+Na-2H]- 287.12647 201.7
[M]+ 266.15125 200.1
[M]- 266.15235 200.1
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