CID 38749

41040-76-0

Structural Information

Molecular Formula
C16H34N2O4
SMILES
CC1(OCC(O1)C[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C16H34N2O4/c1-16(21-13-14(22-16)12-18(5,6)7)9-8-15(19)20-11-10-17(2,3)4/h14H,8-13H2,1-7H3/q+2
InChIKey
FFMKFYHJXGYMJN-UHFFFAOYSA-N
Compound name
trimethyl-[[2-methyl-2-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-1,3-dioxolan-4-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.25186 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.25914 170.5
[M+Na]+ 341.24108 174.2
[M-H]- 317.24458 177.3
[M+NH4]+ 336.28568 186.7
[M+K]+ 357.21502 166.3
[M+H-H2O]+ 301.24912 171.5
[M+HCOO]- 363.25006 189.5
[M+CH3COO]- 377.26571 204.0
[M+Na-2H]- 339.22653 182.5
[M]+ 318.25131 174.3
[M]- 318.25241 174.3
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.