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]+ 221.189986 152.9
[M+Na]+ 243.171928 161.3
[M-H]- 219.175434 157.5
[M+NH4]+ 238.216533 181.8
[M+K]+ 259.145868 157.1
[M+H-H2O]+ 203.179970 149.7
[M+HCOO]- 265.180911 169.7
[M+CH3COO]- 279.196561 192.7
[M+Na-2H]- 241.157376 154.1
[M]+ 220.18216142 151.4
[M]- 220.18325858 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.