CID 14433060

124869-03-0

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1(C(CCC23C1CC=C4C2C(OC4)OC3O)O)C
InChI
InChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3
InChIKey
INMDHOFDLKYMSO-UHFFFAOYSA-N
Compound name
5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-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]+ 267.159076 158.7
[M+Na]+ 289.141018 165.9
[M-H]- 265.144524 163.2
[M+NH4]+ 284.185623 182.0
[M+K]+ 305.114958 163.9
[M+H-H2O]+ 249.149060 155.7
[M+HCOO]- 311.150001 169.4
[M+CH3COO]- 325.165651 170.2
[M+Na-2H]- 287.126466 162.1
[M]+ 266.15125142 157.6
[M]- 266.15234858 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

literature stripe

Patent stripe

No patent data available for this compound.