CID 129629086

Cedron

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@]23C[C@@H]1C([C@@H]2C(=O)C[C@H]3C)(C)C
InChI
InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13+,15+/m1/s1
InChIKey
YMIXMXXCGJNLMN-SGOHARFASA-N
Compound name
(1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.9
[M+Na]+ 243.17193 161.3
[M-H]- 219.17543 157.5
[M+NH4]+ 238.21653 181.8
[M+K]+ 259.14587 157.1
[M+H-H2O]+ 203.17997 149.7
[M+HCOO]- 265.18091 169.7
[M+CH3COO]- 279.19656 192.7
[M+Na-2H]- 241.15738 154.1
[M]+ 220.18216 151.4
[M]- 220.18326 151.4
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

No patent data available for this compound.