CID 115975

Hn3 amine oxide

Structural Information

Molecular Formula

C₆H₁₂Cl₃NO

SMILES

C(CCl)[N+](CCCl)(CCCl)[O-]

InChI

InChI=1S/C6H12Cl3NO/c7-1-4-10(11,5-2-8)6-3-9/h1-6H2

InChIKey

BJUQOOQREZNMQK-UHFFFAOYSA-N

Compound name

2-chloro-N,N-bis(2-chloroethyl)ethanamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.99844 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.00572	147.5
[M+Na]+	241.98766	154.3
[M-H]-	217.99116	145.2
[M+NH4]+	237.03226	166.4
[M+K]+	257.96160	145.9
[M+H-H2O]+	201.99570	150.3
[M+HCOO]-	263.99664	155.9
[M+CH3COO]-	278.01229	182.1
[M+Na-2H]-	239.97311	153.7
[M]+	218.99789	148.9
[M]-	218.99899	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.