CID 21723990

Cedran-9-one

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)[C@@H](C(=O)C3)C
InChI
InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10+,11+,13+,15-/m1/s1
InChIKey
CHPQWDBBFXQHQC-JNOZFCTMSA-N
Compound name
(1R,2R,5S,7S,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

97
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

No literature data available for this compound.

Patent stripe

patents stripe