CID 85259

Dehydrojuvabione

Structural Information

Molecular Formula
C16H24O3
SMILES
C[C@H](CC(=O)C=C(C)C)[C@@H]1CCC(=CC1)C(=O)OC
InChI
InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13+/m1/s1
InChIKey
DEMNMQDWPCIOLA-OLZOCXBDSA-N
Compound name
methyl (4R)-4-[(2R)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

264.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 164.2
[M+Na]+ 287.161768 167.5
[M-H]- 263.165274 166.6
[M+NH4]+ 282.206373 180.6
[M+K]+ 303.135708 166.1
[M+H-H2O]+ 247.169810 158.0
[M+HCOO]- 309.170751 180.9
[M+CH3COO]- 323.186401 199.9
[M+Na-2H]- 285.147216 161.3
[M]+ 264.17200142 163.8
[M]- 264.17309858 163.8
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