CID 3048294

As-8987

Structural Information

Molecular Formula
C17H38N2O
SMILES
CC[N+]1(CCCCC1)CCOCC[N+](CC)(CC)CC
InChI
InChI=1S/C17H38N2O/c1-5-18(6-2,7-3)14-16-20-17-15-19(8-4)12-10-9-11-13-19/h5-17H2,1-4H3/q+2
InChIKey
JRYYSSQMQBXZEB-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.30568 171.9
[M+Na]+ 309.28762 173.5
[M-H]- 285.29112 173.7
[M+NH4]+ 304.33222 188.3
[M+K]+ 325.26156 161.2
[M+H-H2O]+ 269.29566 170.4
[M+HCOO]- 331.29660 188.3
[M+CH3COO]- 345.31225 196.5
[M+Na-2H]- 307.27307 180.4
[M]+ 286.29785 169.9
[M]- 286.29895 169.9
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.