CID 496631

Nsc695577

Structural Information

Molecular Formula
C15H22O3
SMILES
C[C@@H]1CCC2C(=COC3[C@@]24C1CCC(O3)(O4)C)C
InChI
InChI=1S/C15H22O3/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-15/h8-9,11-13H,4-7H2,1-3H3/t9-,11?,12?,13?,14?,15+/m1/s1
InChIKey
BGBUZQRJDZVNJV-AIMWLFAFSA-N
Compound name
(5R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 154.3
[M+Na]+ 273.14611 161.1
[M-H]- 249.14961 160.0
[M+NH4]+ 268.19071 176.8
[M+K]+ 289.12005 161.3
[M+H-H2O]+ 233.15415 148.8
[M+HCOO]- 295.15509 164.4
[M+CH3COO]- 309.17074 166.1
[M+Na-2H]- 271.13156 161.5
[M]+ 250.15634 154.7
[M]- 250.15744 154.7
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.