CID 38747

41040-70-4

Structural Information

Molecular Formula
C17H36N2O4
SMILES
CC1(OCC(O1)C[N+](C)(C)C)CCC2OCC(O2)C[N+](C)(C)C
InChI
InChI=1S/C17H36N2O4/c1-17(21-13-15(23-17)11-19(5,6)7)9-8-16-20-12-14(22-16)10-18(2,3)4/h14-16H,8-13H2,1-7H3/q+2
InChIKey
QDXDKHOUGLDNHB-UHFFFAOYSA-N
Compound name
trimethyl-[[2-[2-[2-methyl-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

332.26752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27480 174.7
[M+Na]+ 355.25674 177.7
[M-H]- 331.26024 185.3
[M+NH4]+ 350.30134 189.1
[M+K]+ 371.23068 171.2
[M+H-H2O]+ 315.26478 176.7
[M+HCOO]- 377.26572 191.2
[M+CH3COO]- 391.28137 206.8
[M+Na-2H]- 353.24219 186.8
[M]+ 332.26697 177.2
[M]- 332.26807 177.2
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.