CID 45754

As-8429

Structural Information

Molecular Formula
C15H36N2O
SMILES
CC[N+](C)(C)CCOCCC[N+](CC)(CC)CC
InChI
InChI=1S/C15H36N2O/c1-7-16(5,6)13-15-18-14-11-12-17(8-2,9-3)10-4/h7-15H2,1-6H3/q+2
InChIKey
DPTVKEBEUXLFDG-UHFFFAOYSA-N
Compound name
triethyl-[3-[2-[ethyl(dimethyl)azaniumyl]ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.28278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.29006 163.6
[M+Na]+ 283.27200 167.2
[M-H]- 259.27550 166.1
[M+NH4]+ 278.31660 181.6
[M+K]+ 299.24594 156.5
[M+H-H2O]+ 243.28004 163.5
[M+HCOO]- 305.28098 185.5
[M+CH3COO]- 319.29663 200.1
[M+Na-2H]- 281.25745 174.1
[M]+ 260.28223 167.4
[M]- 260.28333 167.4
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.