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

3
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 200.3
[M+Na]+ 289.141018 201.0
[M-H]- 265.144524 199.8
[M+NH4]+ 284.185623 200.0
[M+K]+ 305.114958 199.4
[M+H-H2O]+ 249.149060 191.4
[M+HCOO]- 311.150001 200.5
[M+CH3COO]- 325.165651 201.0
[M+Na-2H]- 287.126466 201.7
[M]+ 266.15125142 200.1
[M]- 266.15234858 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