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]+ 269.13835 154.1
[M+Na]+ 291.12029 164.8
[M-H]- 267.12379 158.9
[M+NH4]+ 286.16489 178.9
[M+K]+ 307.09423 163.4
[M+H-H2O]+ 251.12833 153.4
[M+HCOO]- 313.12927 168.3
[M+CH3COO]- 327.14492 193.5
[M+Na-2H]- 289.10574 159.4
[M]+ 268.13052 156.8
[M]- 268.13162 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.