CID 131752469

(1(10)e,4a,5e)-1(10),5-germacradiene-12-acetoxy-4,11-diol

Structural Information

Molecular Formula
C17H28O4
SMILES
C/C/1=C\CC[C@@](/C=C/[C@@H](CC1)C(C)(COC(=O)C)O)(C)O
InChI
InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16-,17?/m1/s1
InChIKey
RTFVWCRRSNVOBR-GBKJKQHASA-N
Compound name
[2-hydroxy-2-[(1R,2E,4R,7E)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.19876 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.206036 169.8
[M+Na]+ 319.187978 174.5
[M-H]- 295.191484 167.7
[M+NH4]+ 314.232583 183.5
[M+K]+ 335.161918 173.2
[M+H-H2O]+ 279.196020 168.4
[M+HCOO]- 341.196961 184.0
[M+CH3COO]- 355.212611 194.6
[M+Na-2H]- 317.173426 170.7
[M]+ 296.19821142 166.7
[M]- 296.19930858 166.7
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

No patent data available for this compound.