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 168.0
[M+Na]+ 295.27200 170.9
[M-H]- 271.27550 170.3
[M+NH4]+ 290.31660 186.8
[M+K]+ 311.24594 158.8
[M+H-H2O]+ 255.28004 166.9
[M+HCOO]- 317.28098 186.8
[M+CH3COO]- 331.29663 193.4
[M+Na-2H]- 293.25745 176.1
[M]+ 272.28223 167.6
[M]- 272.28333 167.6
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.