CID 21724006

Cedrenal

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C=O
InChI
InChI=1S/C15H22O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,9-10,12-13H,4-5,7-8H2,1-3H3/t10-,12+,13+,15+/m1/s1
InChIKey
OETRFUZAVAFOBR-HTUGSXCWSA-N
Compound name
(1S,2R,5S,7R)-2,6,6-trimethyltricyclo[5.3.1.01,5]undec-8-ene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

218.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.8
[M+Na]+ 241.15629 161.5
[M+NH4]+ 236.20089 164.8
[M+K]+ 257.13023 154.1
[M-H]- 217.15979 153.6
[M+Na-2H]- 239.14174 155.7
[M]+ 218.16652 153.9
[M]- 218.16762 153.9
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

patents stripe