CID 3048561

As-10,793

Structural Information

Molecular Formula
C13H30N2O
SMILES
C[N+]1(CCCCC1)CCOCC[N+](C)(C)C
InChI
InChI=1S/C13H30N2O/c1-14(2,3)10-12-16-13-11-15(4)8-6-5-7-9-15/h5-13H2,1-4H3/q+2
InChIKey
PKHHJPVUZJATSZ-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.23581 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.24309 153.5
[M+Na]+ 253.22503 156.8
[M-H]- 229.22853 156.2
[M+NH4]+ 248.26963 172.2
[M+K]+ 269.19897 145.5
[M+H-H2O]+ 213.23307 152.8
[M+HCOO]- 275.23401 171.2
[M+CH3COO]- 289.24966 184.6
[M+Na-2H]- 251.21048 164.1
[M]+ 230.23526 150.1
[M]- 230.23636 150.1
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.