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]+ 258.10222 156.4
[M+Na]+ 280.08416 168.1
[M+NH4]+ 275.12876 164.5
[M+K]+ 296.05810 162.3
[M-H]- 256.08766 157.1
[M+Na-2H]- 278.06961 159.9
[M]+ 257.09439 158.8
[M]- 257.09549 158.8
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.