CID 9548828

Taxane

Structural Information

Molecular Formula
C20H36
SMILES
C[C@@H]1CCC[C@@]2([C@@H]1C[C@@H]3CC[C@H]([C@@H](C3(C)C)CC2)C)C
InChI
InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChIKey
DKPFODGZWDEEBT-QFIAKTPHSA-N
Compound name
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3368
References

71849
Patents

276.2817 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.28898 186.6
[M+Na]+ 299.27092 190.0
[M-H]- 275.27442 187.6
[M+NH4]+ 294.31552 196.6
[M+K]+ 315.24486 188.5
[M+H-H2O]+ 259.27896 182.1
[M+HCOO]- 321.27990 190.0
[M+CH3COO]- 335.29555 188.8
[M+Na-2H]- 297.25637 182.7
[M]+ 276.28115 183.0
[M]- 276.28225 183.0
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

patents stripe