CID 58349

101418-40-0

Structural Information

Molecular Formula
C8H18Cl2N2O2
SMILES
C[N+](CC[N+](C)(CCCl)[O-])(CCCl)[O-]
InChI
InChI=1S/C8H18Cl2N2O2/c1-11(13,5-3-9)7-8-12(2,14)6-4-10/h3-8H2,1-2H3
InChIKey
UAKYUCSKPCUGMX-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylethane-1,2-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07454 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08182 158.8
[M+Na]+ 267.06376 164.1
[M-H]- 243.06726 157.4
[M+NH4]+ 262.10836 176.0
[M+K]+ 283.03770 152.6
[M+H-H2O]+ 227.07180 165.5
[M+HCOO]- 289.07274 171.7
[M+CH3COO]- 303.08839 184.2
[M+Na-2H]- 265.04921 168.2
[M]+ 244.07399 159.0
[M]- 244.07509 159.0
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.