CID 51059968

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

Structural Information

Molecular Formula
C17H36NO2
SMILES
CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C
InChI
InChI=1S/C17H36NO2/c1-6-8-9-10-11-12-13-14-15-16(18(3,4)5)17(19)20-7-2/h16H,6-15H2,1-5H3/q+1
InChIKey
FCRWJSVSCZSSKM-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxododecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2746 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.28188 176.2
[M+Na]+ 309.26382 178.9
[M-H]- 285.26732 176.6
[M+NH4]+ 304.30842 192.7
[M+K]+ 325.23776 172.6
[M+H-H2O]+ 269.27186 172.8
[M+HCOO]- 331.27280 195.7
[M+CH3COO]- 345.28845 205.3
[M+Na-2H]- 307.24927 179.0
[M]+ 286.27405 181.3
[M]- 286.27515 181.3
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.