CID 23983652

Compound np-000038

Structural Information

Molecular Formula
C20H30O4
SMILES
CC12CC(=O)CC(C1C(CC34C2CC5C(C3)C5(C4)C)O)(CO)CO
InChI
InChI=1S/C20H30O4/c1-17-4-11(23)5-20(9-21,10-22)16(17)14(24)7-19-6-13-12(3-15(17)19)18(13,2)8-19/h12-16,21-22,24H,3-10H2,1-2H3
InChIKey
WTOYNGQRGOLPNU-UHFFFAOYSA-N
Compound name
3-hydroxy-5,5-bis(hydroxymethyl)-9,13-dimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

334.21442 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 178.4
[M+Na]+ 357.203638 185.3
[M-H]- 333.207144 176.7
[M+NH4]+ 352.248243 199.8
[M+K]+ 373.177578 179.4
[M+H-H2O]+ 317.211680 173.5
[M+HCOO]- 379.212621 177.0
[M+CH3COO]- 393.228271 185.2
[M+Na-2H]- 355.189086 183.6
[M]+ 334.21387142 181.5
[M]- 334.21496858 181.5
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.