CID 3063322

Butylamine, n,n-bis(2-chloroethyl)-4-chloro-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C8H16Cl3NO
SMILES
C(CCCl)C[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C8H16Cl3NO/c9-3-1-2-6-12(13,7-4-10)8-5-11/h1-8H2
InChIKey
MOGUXOKDDMSSEU-UHFFFAOYSA-N
Compound name
4-chloro-N,N-bis(2-chloroethyl)butan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.02974 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03702 156.9
[M+Na]+ 270.01896 162.9
[M-H]- 246.02246 154.3
[M+NH4]+ 265.06356 174.7
[M+K]+ 285.99290 154.0
[M+H-H2O]+ 230.02700 159.2
[M+HCOO]- 292.02794 164.7
[M+CH3COO]- 306.04359 187.9
[M+Na-2H]- 268.00441 162.1
[M]+ 247.02919 159.1
[M]- 247.03029 159.1
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.