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 161.3
[M+Na]+ 280.08416 166.9
[M-H]- 256.08766 159.8
[M+NH4]+ 275.12876 179.1
[M+K]+ 296.05810 158.7
[M+H-H2O]+ 240.09220 162.7
[M+HCOO]- 302.09314 174.3
[M+CH3COO]- 316.10879 190.1
[M+Na-2H]- 278.06961 167.2
[M]+ 257.09439 165.9
[M]- 257.09549 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.