CID 27333

P 227

Structural Information

Molecular Formula
C16H34N2O4
SMILES
C[N+](C)(C)CC1COC(O1)CCC2OCC(O2)C[N+](C)(C)C
InChI
InChI=1S/C16H34N2O4/c1-17(2,3)9-13-11-19-15(21-13)7-8-16-20-12-14(22-16)10-18(4,5)6/h13-16H,7-12H2,1-6H3/q+2
InChIKey
FTOLGNHDBYYRBJ-UHFFFAOYSA-N
Compound name
trimethyl-[[2-[2-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]ethyl]-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

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.25914 172.3
[M+Na]+ 341.24108 182.7
[M+NH4]+ 336.28568 180.9
[M+K]+ 357.21502 184.9
[M-H]- 317.24458 182.7
[M+Na-2H]- 339.22653 175.2
[M]+ 318.25131 177.5
[M]- 318.25241 177.5
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.