CID 46041

As-12,045

Structural Information

Molecular Formula

C₁₁H₂₈N₂O

SMILES

CC[N+](C)(C)CCOCC[N+](C)(C)C

InChI

InChI=1S/C11H28N2O/c1-7-13(5,6)9-11-14-10-8-12(2,3)4/h7-11H2,1-6H3/q+2

InChIKey

GDGWUFQQRIZONN-UHFFFAOYSA-N

Compound name

ethyl-dimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.22017 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.227446	144.5
[M+Na]+	227.209388	149.7
[M-H]-	203.212894	147.8
[M+NH4]+	222.253993	164.6
[M+K]+	243.183328	140.1
[M+H-H2O]+	187.217430	145.2
[M+HCOO]-	249.218371	167.8
[M+CH3COO]-	263.234021	188.1
[M+Na-2H]-	225.194836	157.1
[M]+	204.21962142	146.8
[M]-	204.22071858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe