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

literature stripe

Patent stripe

patents stripe