CID 60329

2-[2-[2-[diethyl(methyl)azaniumyl]ethoxy]ethoxy]ethyl-diethyl-methylazanium

Structural Information

Molecular Formula
C16H38N2O2
SMILES
CC[N+](C)(CC)CCOCCOCC[N+](C)(CC)CC
InChI
InChI=1S/C16H38N2O2/c1-7-17(5,8-2)11-13-19-15-16-20-14-12-18(6,9-3)10-4/h7-16H2,1-6H3/q+2
InChIKey
HVHLQRXZVFBFBY-UHFFFAOYSA-N
Compound name
2-[2-[2-[diethyl(methyl)azaniumyl]ethoxy]ethoxy]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

290.29333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.30061 171.9
[M+Na]+ 313.28255 175.1
[M-H]- 289.28605 174.2
[M+NH4]+ 308.32715 216.4
[M+K]+ 329.25649 164.5
[M+H-H2O]+ 273.29059 171.4
[M+HCOO]- 335.29153 238.7
[M+CH3COO]- 349.30718 204.8
[M+Na-2H]- 311.26800 182.1
[M]+ 290.29278 177.5
[M]- 290.29388 177.5
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

patents stripe