CID 58139

100991-86-4

Structural Information

Molecular Formula
C10H22Cl2N2O2
SMILES
C[N+](CCCC[N+](C)(CCCl)[O-])(CCCl)[O-]
InChI
InChI=1S/C10H22Cl2N2O2/c1-13(15,9-5-11)7-3-4-8-14(2,16)10-6-12/h3-10H2,1-2H3
InChIKey
HDWUFYXLEHTFHM-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylbutane-1,4-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11311 168.4
[M+Na]+ 295.09505 172.9
[M-H]- 271.09855 166.7
[M+NH4]+ 290.13965 184.6
[M+K]+ 311.06899 160.9
[M+H-H2O]+ 255.10309 174.7
[M+HCOO]- 317.10403 180.7
[M+CH3COO]- 331.11968 190.1
[M+Na-2H]- 293.08050 176.8
[M]+ 272.10528 169.4
[M]- 272.10638 169.4
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.