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]+ 287.281876 176.2
[M+Na]+ 309.263818 178.9
[M-H]- 285.267324 176.6
[M+NH4]+ 304.308423 192.7
[M+K]+ 325.237758 172.6
[M+H-H2O]+ 269.271860 172.8
[M+HCOO]- 331.272801 195.7
[M+CH3COO]- 345.288451 205.3
[M+Na-2H]- 307.249266 179.0
[M]+ 286.27405142 181.3
[M]- 286.27514858 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.