CID 3048203

As-12,306

Structural Information

Molecular Formula
C16H36N2O
SMILES
CC[N+]1(CCCC1)CCOCC[N+](CC)(CC)CC
InChI
InChI=1S/C16H36N2O/c1-5-17(6-2,7-3)13-15-19-16-14-18(8-4)11-9-10-12-18/h5-16H2,1-4H3/q+2
InChIKey
NJXKFOLTVVAERZ-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(1-ethylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.28278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.29006 167.4
[M+Na]+ 295.27200 178.9
[M+NH4]+ 290.31660 178.4
[M+K]+ 311.24594 172.9
[M-H]- 271.27550 171.8
[M+Na-2H]- 293.25745 174.0
[M]+ 272.28223 171.1
[M]- 272.28333 171.1
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.