CID 6477581

Nsc695575

Structural Information

Molecular Formula
C15H22O4
SMILES
C[C@@H]1CC[C@H]2C(=CO[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)C
InChI
InChI=1S/C15H22O4/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-19-15/h8-9,11-13H,4-7H2,1-3H3/t9-,11+,12+,13-,14?,15+/m1/s1
InChIKey
UKXCIQFCSITOCY-XFJQPHOBSA-N
Compound name
(4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

266.1518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 155.9
[M+Na]+ 289.14102 164.3
[M-H]- 265.14452 162.0
[M+NH4]+ 284.18562 173.9
[M+K]+ 305.11496 161.9
[M+H-H2O]+ 249.14906 153.9
[M+HCOO]- 311.15000 161.1
[M+CH3COO]- 325.16565 165.6
[M+Na-2H]- 287.12647 166.6
[M]+ 266.15125 156.7
[M]- 266.15235 156.7
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.