CID 455428

Schembl19523547

Structural Information

Molecular Formula
C15H24O4
SMILES
C[C@@H]1CC[C@H]2[C@H](CO[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)C
InChI
InChI=1S/C15H24O4/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-19-15/h9-13H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14?,15+/m1/s1
InChIKey
BOQMASYCUFVXCR-MZPMYJQTSA-N
Compound name
(4S,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.16745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 156.0
[M+Na]+ 291.15667 163.5
[M-H]- 267.16017 161.6
[M+NH4]+ 286.20127 173.8
[M+K]+ 307.13061 160.9
[M+H-H2O]+ 251.16471 153.8
[M+HCOO]- 313.16565 160.0
[M+CH3COO]- 327.18130 165.2
[M+Na-2H]- 289.14212 165.9
[M]+ 268.16690 155.6
[M]- 268.16800 155.6
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

patents stripe