CID 54843

82278-60-2

Structural Information

Molecular Formula
C11H26N2O2
SMILES
C[N+](C)(C)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C11H26N2O2/c1-12(2,3)8-7-11(14)15-10-9-13(4,5)6/h7-10H2,1-6H3/q+2
InChIKey
IXIGZCVIXJPUFC-UHFFFAOYSA-N
Compound name
trimethyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.19943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.206706 145.9
[M+Na]+ 241.188648 151.2
[M-H]- 217.192154 149.3
[M+NH4]+ 236.233253 165.4
[M+K]+ 257.162588 141.9
[M+H-H2O]+ 201.196690 146.7
[M+HCOO]- 263.197631 168.7
[M+CH3COO]- 277.213281 188.4
[M+Na-2H]- 239.174096 157.6
[M]+ 218.19888142 148.1
[M]- 218.19997858 148.1
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.