CID 27420

15621-20-2

Structural Information

Molecular Formula
C20H42N2O4
SMILES
CC[N+](C)(CC)CC1COC(O1)CCC2OCC(O2)C[N+](C)(CC)CC
InChI
InChI=1S/C20H42N2O4/c1-7-21(5,8-2)13-17-15-23-19(25-17)11-12-20-24-16-18(26-20)14-22(6,9-3)10-4/h17-20H,7-16H2,1-6H3/q+2
InChIKey
HYBOYHWGGNIXBX-UHFFFAOYSA-N
Compound name
[2-[2-[4-[[diethyl(methyl)azaniumyl]methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.31445 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32173 193.9
[M+Na]+ 397.30367 194.7
[M-H]- 373.30717 203.6
[M+NH4]+ 392.34827 204.6
[M+K]+ 413.27761 187.1
[M+H-H2O]+ 357.31171 194.2
[M+HCOO]- 419.31265 209.3
[M+CH3COO]- 433.32830 216.0
[M+Na-2H]- 395.28912 202.5
[M]+ 374.31390 196.9
[M]- 374.31500 196.9
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.