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 173.2
[M+Na]+ 309.11072 177.3
[M-H]- 285.11422 171.4
[M+NH4]+ 304.15532 205.8
[M+K]+ 325.08466 165.1
[M+H-H2O]+ 269.11876 179.3
[M+HCOO]- 331.11970 226.3
[M+CH3COO]- 345.13535 193.0
[M+Na-2H]- 307.09617 181.1
[M]+ 286.12095 174.5
[M]- 286.12205 174.5
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.