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]+ 315.313176 185.6
[M+Na]+ 337.295118 187.4
[M-H]- 313.298624 185.6
[M+NH4]+ 332.339723 201.0
[M+K]+ 353.269058 180.7
[M+H-H2O]+ 297.303160 181.8
[M+HCOO]- 359.304101 204.4
[M+CH3COO]- 373.319751 211.3
[M+Na-2H]- 335.280566 187.3
[M]+ 314.30535142 191.5
[M]- 314.30644858 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.