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 149.7
[M+Na]+ 229.15629 156.7
[M-H]- 205.15979 154.5
[M+NH4]+ 224.20089 179.9
[M+K]+ 245.13023 153.6
[M+H-H2O]+ 189.16433 146.4
[M+HCOO]- 251.16527 164.8
[M+CH3COO]- 265.18092 162.4
[M+Na-2H]- 227.14174 152.0
[M]+ 206.16652 148.2
[M]- 206.16762 148.2
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