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

117
Patents

206.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 149.7
[M+Na]+ 229.156288 156.7
[M-H]- 205.159794 154.5
[M+NH4]+ 224.200893 179.9
[M+K]+ 245.130228 153.6
[M+H-H2O]+ 189.164330 146.4
[M+HCOO]- 251.165271 164.8
[M+CH3COO]- 265.180921 162.4
[M+Na-2H]- 227.141736 152.0
[M]+ 206.16652142 148.2
[M]- 206.16761858 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