CID 6427485

Cedroxide

Structural Information

Molecular Formula
C14H22O
SMILES
C[C@@H]1CCC2[C@]13CC[C@@]4([C@H](C3)[C@H]2CO4)C
InChI
InChI=1S/C14H22O/c1-9-3-4-11-10-8-15-13(2)5-6-14(9,11)7-12(10)13/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12-,13-,14+/m1/s1
InChIKey
XTUCGACHIRHVPO-UOHALXPSSA-N
Compound name
(1S,4R,7S,11R,13R)-4,11-dimethyl-5-oxatetracyclo[5.4.2.01,8.04,13]tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

206.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 147.7
[M+Na]+ 229.15629 155.7
[M+NH4]+ 224.20089 161.8
[M+K]+ 245.13023 151.0
[M-H]- 205.15979 150.3
[M+Na-2H]- 227.14174 148.9
[M]+ 206.16652 149.8
[M]- 206.16762 149.8
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