CID 131752466

Dtxsid001109134

Structural Information

Molecular Formula
C15H20O3
SMILES
CC12CC3(C(=C1)C(C(=C)C4(C3(C)O)CC4)O)OC2
InChI
InChI=1S/C15H20O3/c1-9-11(16)10-6-12(2)7-15(10,18-8-12)13(3,17)14(9)4-5-14/h6,11,16-17H,1,4-5,7-8H2,2-3H3
InChIKey
WLMXEYUIRPFYIT-UHFFFAOYSA-N
Compound name
2,8-dimethyl-4-methylidenespiro[10-oxatricyclo[6.2.1.01,6]undec-6-ene-3,1'-cyclopropane]-2,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.0
[M+Na]+ 271.13047 165.7
[M-H]- 247.13397 160.1
[M+NH4]+ 266.17507 177.6
[M+K]+ 287.10441 162.7
[M+H-H2O]+ 231.13851 153.0
[M+HCOO]- 293.13945 166.4
[M+CH3COO]- 307.15510 166.6
[M+Na-2H]- 269.11592 160.2
[M]+ 248.14070 157.4
[M]- 248.14180 157.4
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.