CID 550132

Neqmzjdckgajqw-uhfffaoysa-n

Structural Information

Molecular Formula
C24H36O6
SMILES
CC(=O)OC1CCC(=O)C1(C)CCC2C(=O)CCC3C24CCC(C3(C)C)(OC4)OC
InChI
InChI=1S/C24H36O6/c1-15(25)30-20-9-8-19(27)22(20,4)11-10-16-17(26)6-7-18-21(2,3)24(28-5)13-12-23(16,18)14-29-24/h16,18,20H,6-14H2,1-5H3
InChIKey
NEQMZJDCKGAJQW-UHFFFAOYSA-N
Compound name
[2-[2-(8-methoxy-7,7-dimethyl-3-oxo-9-oxatricyclo[6.2.2.01,6]dodecan-2-yl)ethyl]-2-methyl-3-oxocyclopentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2512 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.258476 194.1
[M+Na]+ 443.240418 197.9
[M-H]- 419.243924 195.3
[M+NH4]+ 438.285023 216.5
[M+K]+ 459.214358 195.6
[M+H-H2O]+ 403.248460 187.4
[M+HCOO]- 465.249401 196.8
[M+CH3COO]- 479.265051 230.6
[M+Na-2H]- 441.225866 197.9
[M]+ 420.25065142 198.2
[M]- 420.25174858 198.2
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.