CID 24843298

95725-35-2

Structural Information

Molecular Formula
C11H24Cl2N2O2
SMILES
CC[N+](CC)(CCC[N+](CCCl)(CCCl)[O-])[O-]
InChI
InChI=1S/C11H24Cl2N2O2/c1-3-14(16,4-2)8-5-9-15(17,10-6-12)11-7-13/h3-11H2,1-2H3
InChIKey
HFRLYJMWHLSUFQ-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12878 184.8
[M+Na]+ 309.11072 188.7
[M+NH4]+ 304.15532 191.6
[M+K]+ 325.08466 195.6
[M-H]- 285.11422 179.0
[M+Na-2H]- 307.09617 180.4
[M]+ 286.12095 185.1
[M]- 286.12205 185.1
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.