CID 12304831

3-oxo-1(10)-germacren-12,6-olide

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1CC2C(CC/C(=C\CC1=O)/C)C(C(=O)O2)C
InChI
InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5-
InChIKey
KLZWSNKEPLKAOS-UITAMQMPSA-N
Compound name
(6Z)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 153.4
[M+Na]+ 273.14611 161.1
[M-H]- 249.14961 156.1
[M+NH4]+ 268.19071 170.5
[M+K]+ 289.12005 160.2
[M+H-H2O]+ 233.15415 152.2
[M+HCOO]- 295.15509 170.6
[M+CH3COO]- 309.17074 192.5
[M+Na-2H]- 271.13156 153.0
[M]+ 250.15634 150.3
[M]- 250.15744 150.3
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

No patent data available for this compound.