CID 24847294

Triethylamine, 2-butoxy-2',2''-dichloro-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C10H21Cl2NO2
SMILES
CCCCOCC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C10H21Cl2NO2/c1-2-3-9-15-10-8-13(14,6-4-11)7-5-12/h2-10H2,1H3
InChIKey
LFRTXLZCASKXMV-UHFFFAOYSA-N
Compound name
2-butoxy-N,N-bis(2-chloroethyl)ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09494 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.102216 161.3
[M+Na]+ 280.084158 166.9
[M-H]- 256.087664 159.8
[M+NH4]+ 275.128763 179.1
[M+K]+ 296.058098 158.7
[M+H-H2O]+ 240.092200 162.7
[M+HCOO]- 302.093141 174.3
[M+CH3COO]- 316.108791 190.1
[M+Na-2H]- 278.069606 167.2
[M]+ 257.09439142 165.9
[M]- 257.09548858 165.9
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.