CID 129908005

(1s,4r,9s,10r,13r,16s)-16-hydroxy-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-2-one

Structural Information

Molecular Formula
C19H28O2
SMILES
CC1(CCC[C@H]2[C@H]1CC(=O)[C@@]34[C@@H]2CC[C@@H]([C@@H]3O)C(=C)C4)C
InChI
InChI=1S/C19H28O2/c1-11-10-19-14(7-6-12(11)17(19)21)13-5-4-8-18(2,3)15(13)9-16(19)20/h12-15,17,21H,1,4-10H2,2-3H3/t12-,13-,14-,15-,17+,19-/m1/s1
InChIKey
ILQQESRIUADUDY-JONOTHNBSA-N
Compound name
(1S,4R,9S,10R,13R,16S)-16-hydroxy-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 171.1
[M+Na]+ 311.198138 176.7
[M-H]- 287.201644 173.5
[M+NH4]+ 306.242743 195.2
[M+K]+ 327.172078 170.4
[M+H-H2O]+ 271.206180 165.6
[M+HCOO]- 333.207121 179.4
[M+CH3COO]- 347.222771 180.3
[M+Na-2H]- 309.183586 170.9
[M]+ 288.20837142 163.7
[M]- 288.20946858 163.7
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

No patent data available for this compound.