CID 6524

78-25-1

Structural Information

Molecular Formula
C17H38N2O2
SMILES
CC[N+](CC)(CC)CCC(=O)OCC[N+](CC)(CC)CC
InChI
InChI=1S/C17H38N2O2/c1-7-18(8-2,9-3)14-13-17(20)21-16-15-19(10-4,11-5)12-6/h7-16H2,1-6H3/q+2
InChIKey
KBVYJMFDQMKJIS-UHFFFAOYSA-N
Compound name
triethyl-[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.29333 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.30061 174.7
[M+Na]+ 325.28255 177.6
[M-H]- 301.28605 176.9
[M+NH4]+ 320.32715 217.8
[M+K]+ 341.25649 166.6
[M+H-H2O]+ 285.29059 174.2
[M+HCOO]- 347.29153 236.4
[M+CH3COO]- 361.30718 206.3
[M+Na-2H]- 323.26800 183.2
[M]+ 302.29278 179.1
[M]- 302.29388 179.1
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.