CID 45803

As-17,843

Structural Information

Molecular Formula
C16H38N2O
SMILES
CC[N+](C)(C)CCCOCCC[N+](CC)(CC)CC
InChI
InChI=1S/C16H38N2O/c1-7-17(5,6)13-11-15-19-16-12-14-18(8-2,9-3)10-4/h7-16H2,1-6H3/q+2
InChIKey
UQCUJJIYYVNBHS-UHFFFAOYSA-N
Compound name
triethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.30568 168.3
[M+Na]+ 297.28762 171.6
[M-H]- 273.29112 170.6
[M+NH4]+ 292.33222 185.7
[M+K]+ 313.26156 160.6
[M+H-H2O]+ 257.29566 168.0
[M+HCOO]- 319.29660 190.0
[M+CH3COO]- 333.31225 203.1
[M+Na-2H]- 295.27307 178.3
[M]+ 274.29785 172.5
[M]- 274.29895 172.5
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.