CID 58389

Ug 766

Structural Information

Molecular Formula
C22H42NO2
SMILES
CCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C22H42NO2/c1-4-7-16-23(5-2,6-3)17-18-25-22(24)21(19-12-8-9-13-19)20-14-10-11-15-20/h19-21H,4-18H2,1-3H3/q+1
InChIKey
VOJKFOQWDSETEM-UHFFFAOYSA-N
Compound name
butyl-[2-(2,2-dicyclopentylacetyl)oxyethyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.32156 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.32884 197.6
[M+Na]+ 375.31078 195.8
[M-H]- 351.31428 202.9
[M+NH4]+ 370.35538 213.6
[M+K]+ 391.28472 188.4
[M+H-H2O]+ 335.31882 192.8
[M+HCOO]- 397.31976 213.9
[M+CH3COO]- 411.33541 212.7
[M+Na-2H]- 373.29623 194.7
[M]+ 352.32101 194.9
[M]- 352.32211 194.9
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.