CID 4190349

Dtxsid00628203

Structural Information

Molecular Formula
C22H46NO2
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC
InChI
InChI=1S/C22H46NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,4)21-22(24)25-6-2/h5-21H2,1-4H3/q+1
InChIKey
RJIRXFOWROZRFS-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-hexadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.35284 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.36012 199.5
[M+Na]+ 379.34206 200.3
[M-H]- 355.34556 198.9
[M+NH4]+ 374.38666 217.3
[M+K]+ 395.31600 192.3
[M+H-H2O]+ 339.35010 195.0
[M+HCOO]- 401.35104 232.6
[M+CH3COO]- 415.36669 219.6
[M+Na-2H]- 377.32751 200.8
[M]+ 356.35229 207.2
[M]- 356.35339 207.2
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.