CID 85086233

Kamahine c

Structural Information

Molecular Formula
C14H20O5
SMILES
CC1CC2(C3(C(=CC(=O)C(C3(C)C)O2)C)O)OC1O
InChI
InChI=1S/C14H20O5/c1-7-6-13(19-11(7)16)14(17)8(2)5-9(15)10(18-13)12(14,3)4/h5,7,10-11,16-17H,6H2,1-4H3
InChIKey
NKEIHMMKFOXWAO-UHFFFAOYSA-N
Compound name
1,5'-dihydroxy-2,4',8,8-tetramethylspiro[6-oxabicyclo[3.2.1]oct-2-ene-7,2'-oxolane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13107 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.138346 154.1
[M+Na]+ 291.120288 164.8
[M-H]- 267.123794 158.9
[M+NH4]+ 286.164893 178.9
[M+K]+ 307.094228 163.4
[M+H-H2O]+ 251.128330 153.4
[M+HCOO]- 313.129271 168.3
[M+CH3COO]- 327.144921 193.5
[M+Na-2H]- 289.105736 159.4
[M]+ 268.13052142 156.8
[M]- 268.13161858 156.8
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.