CID 171037998

Kagimminol a

Structural Information

Molecular Formula
C20H32O3
SMILES
C/C/1=C\CC/C(=C/C=C(\[C@H](C[C@](C(=O)CC1)(C)O)O)/C(C)C)/C
InChI
InChI=1S/C20H32O3/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19(22)20(5,23)13-18(17)21/h8-9,11,14,18,21,23H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+,17-11-/t18-,20-/m0/s1
InChIKey
UWCDFXBLLXOWRX-GUFHTRJOSA-N
Compound name
(4E,8E,10Z,12S,14S)-12,14-dihydroxy-4,8,14-trimethyl-11-propan-2-ylcyclotetradeca-4,8,10-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.23514 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 176.5
[M+Na]+ 343.22436 182.5
[M-H]- 319.22786 176.4
[M+NH4]+ 338.26896 189.7
[M+K]+ 359.19830 179.7
[M+H-H2O]+ 303.23240 175.3
[M+HCOO]- 365.23334 190.8
[M+CH3COO]- 379.24899 200.9
[M+Na-2H]- 341.20981 173.3
[M]+ 320.23459 171.3
[M]- 320.23569 171.3
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.