CID 215649

Sa 256

Structural Information

Molecular Formula
C25H48NO2
SMILES
CCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C25H48NO2/c1-4-7-8-9-14-19-26(5-2,6-3)20-21-28-25(27)24(22-15-10-11-16-22)23-17-12-13-18-23/h22-24H,4-21H2,1-3H3/q+1
InChIKey
FQFLOBJWFWJLGR-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-heptylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.3685 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.37578 211.3
[M+Na]+ 417.35772 208.2
[M-H]- 393.36122 215.9
[M+NH4]+ 412.40232 225.5
[M+K]+ 433.33166 200.0
[M+H-H2O]+ 377.36576 206.0
[M+HCOO]- 439.36670 226.5
[M+CH3COO]- 453.38235 221.5
[M+Na-2H]- 415.34317 206.8
[M]+ 394.36795 209.6
[M]- 394.36905 209.6
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.