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

0
Patents

204.22017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.22745 144.5
[M+Na]+ 227.20939 149.7
[M-H]- 203.21289 147.8
[M+NH4]+ 222.25399 164.6
[M+K]+ 243.18333 140.1
[M+H-H2O]+ 187.21743 145.2
[M+HCOO]- 249.21837 167.8
[M+CH3COO]- 263.23402 188.1
[M+Na-2H]- 225.19484 157.1
[M]+ 204.21962 146.8
[M]- 204.22072 146.8
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.