CID 59112

101914-00-5

Structural Information

Molecular Formula
C12H26Cl2N2O2
SMILES
C[N+](CCCCCC[N+](C)(CCCl)[O-])(CCCl)[O-]
InChI
InChI=1S/C12H26Cl2N2O2/c1-15(17,11-7-13)9-5-3-4-6-10-16(2,18)12-8-14/h3-12H2,1-2H3
InChIKey
MNEZRKBUSNQRTK-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylhexane-1,6-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13715 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14443 188.6
[M+Na]+ 323.12637 192.3
[M+NH4]+ 318.17097 195.2
[M+K]+ 339.10031 199.1
[M-H]- 299.12987 182.6
[M+Na-2H]- 321.11182 183.8
[M]+ 300.13660 188.8
[M]- 300.13770 188.8
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.