CID 25137938

Albaflavenone

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@H]1CC(=O)C2=C(C([C@H]3CC[C@@]12C3)(C)C)C
InChI
InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
InChIKey
SHUZZAXJEJPUGA-CCUNJIBTSA-N
Compound name
(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

14
Patents

218.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.0
[M+Na]+ 241.15629 160.5
[M-H]- 217.15979 156.1
[M+NH4]+ 236.20089 180.2
[M+K]+ 257.13023 156.2
[M+H-H2O]+ 201.16433 147.7
[M+HCOO]- 263.16527 169.3
[M+CH3COO]- 277.18092 192.3
[M+Na-2H]- 239.14174 153.2
[M]+ 218.16652 151.0
[M]- 218.16762 151.0
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

patents stripe