CID 24847317

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

Structural Information

Molecular Formula
C7H15Cl2NO2
SMILES
COCC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C7H15Cl2NO2/c1-12-7-6-10(11,4-2-8)5-3-9/h2-7H2,1H3
InChIKey
CSJFZWDHWNSGIU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-methoxyethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04799 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05527 146.9
[M+Na]+ 238.03721 153.8
[M-H]- 214.04071 145.9
[M+NH4]+ 233.08181 166.4
[M+K]+ 254.01115 146.3
[M+H-H2O]+ 198.04525 149.0
[M+HCOO]- 260.04619 160.9
[M+CH3COO]- 274.06184 181.2
[M+Na-2H]- 236.02266 154.4
[M]+ 215.04744 150.4
[M]- 215.04854 150.4
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.