CID 482785

(1s,12s,2r,4r,7r,9r)-4,9-dimethyl-13-methylene-3,8,15-trioxatetracyclo[10.3.0.0<2,4>.0<7,9>]pentadecan-14-one

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@@]12CC[C@@H]3C(O3)(CC[C@@H]4[C@@H]([C@@H]1O2)OC(=O)C4=C)C
InChI
InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14?,15+/m0/s1
InChIKey
ZNURDDCKOFUOKI-SRYDXBHVSA-N
Compound name
(1S,2S,4R,7R,12S)-4,9-dimethyl-13-methylidene-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

264.13617 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.4
[M+Na]+ 287.12539 169.2
[M-H]- 263.12889 166.3
[M+NH4]+ 282.16999 168.2
[M+K]+ 303.09933 173.3
[M+H-H2O]+ 247.13343 161.1
[M+HCOO]- 309.13437 168.3
[M+CH3COO]- 323.15002 169.7
[M+Na-2H]- 285.11084 164.3
[M]+ 264.13562 165.6
[M]- 264.13672 165.6
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.