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]+ 249.148526 154.0
[M+Na]+ 271.130468 165.7
[M-H]- 247.133974 160.1
[M+NH4]+ 266.175073 177.6
[M+K]+ 287.104408 162.7
[M+H-H2O]+ 231.138510 153.0
[M+HCOO]- 293.139451 166.4
[M+CH3COO]- 307.155101 166.6
[M+Na-2H]- 269.115916 160.2
[M]+ 248.14070142 157.4
[M]- 248.14179858 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.