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

0
Patents

218.19943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.20671 145.9
[M+Na]+ 241.18865 151.2
[M-H]- 217.19215 149.3
[M+NH4]+ 236.23325 165.4
[M+K]+ 257.16259 141.9
[M+H-H2O]+ 201.19669 146.7
[M+HCOO]- 263.19763 168.7
[M+CH3COO]- 277.21328 188.4
[M+Na-2H]- 239.17410 157.6
[M]+ 218.19888 148.1
[M]- 218.19998 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.