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]+ 216.055266 146.9
[M+Na]+ 238.037208 153.8
[M-H]- 214.040714 145.9
[M+NH4]+ 233.081813 166.4
[M+K]+ 254.011148 146.3
[M+H-H2O]+ 198.045250 149.0
[M+HCOO]- 260.046191 160.9
[M+CH3COO]- 274.061841 181.2
[M+Na-2H]- 236.022656 154.4
[M]+ 215.04744142 150.4
[M]- 215.04853858 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.