CID 131751903

(2s,6s,12r,14r)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1(CC[C@@H](C23[C@H]1CC=C4C2[C@H](OC4)O[C@H]3O)O)C
InChI
InChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11?,12+,13+,15?/m0/s1
InChIKey
HLFAYJASJWZZCH-GAXMWCNXSA-N
Compound name
(2S,6S,12R,14R)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 158.7
[M+Na]+ 289.14102 165.9
[M-H]- 265.14452 163.2
[M+NH4]+ 284.18562 182.0
[M+K]+ 305.11496 163.9
[M+H-H2O]+ 249.14906 155.7
[M+HCOO]- 311.15000 169.4
[M+CH3COO]- 325.16565 170.2
[M+Na-2H]- 287.12647 162.1
[M]+ 266.15125 157.6
[M]- 266.15235 157.6
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