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]+ 251.164166 154.3
[M+Na]+ 273.146108 161.1
[M-H]- 249.149614 160.0
[M+NH4]+ 268.190713 176.8
[M+K]+ 289.120048 161.3
[M+H-H2O]+ 233.154150 148.8
[M+HCOO]- 295.155091 164.4
[M+CH3COO]- 309.170741 166.1
[M+Na-2H]- 271.131556 161.5
[M]+ 250.15634142 154.7
[M]- 250.15743858 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

literature stripe

Patent stripe

No patent data available for this compound.