CID 51059944

1-ethoxy-n,n,n-trimethyl-1-oxo-2-tetradecanaminium bromide

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C
InChI
InChI=1S/C19H40NO2/c1-6-8-9-10-11-12-13-14-15-16-17-18(20(3,4)5)19(21)22-7-2/h18H,6-17H2,1-5H3/q+1
InChIKey
JMFYTGVUDDMGME-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxotetradecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.3059 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.31318 185.6
[M+Na]+ 337.29512 187.4
[M-H]- 313.29862 185.6
[M+NH4]+ 332.33972 201.0
[M+K]+ 353.26906 180.7
[M+H-H2O]+ 297.30316 181.8
[M+HCOO]- 359.30410 204.4
[M+CH3COO]- 373.31975 211.3
[M+Na-2H]- 335.28057 187.3
[M]+ 314.30535 191.5
[M]- 314.30645 191.5
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.