CID 57331

Ethylamine, 2-chloro-n,n-dimethyl-, n-oxide

Structural Information

Molecular Formula

C₄H₁₀ClNO

SMILES

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

InChI

InChI=1S/C4H10ClNO/c1-6(2,7)4-3-5/h3-4H2,1-2H3

InChIKey

OETCFONJYRBYLR-UHFFFAOYSA-N

Compound name

2-chloro-N,N-dimethylethanamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 123.04509 Da
Monoisotopic Mass: 0.3
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]+	124.05237	120.2
[M+Na]+	146.03431	133.2
[M+NH4]+	141.07891	130.0
[M+K]+	162.00825	129.1
[M-H]-	122.03781	121.9
[M+Na-2H]-	144.01976	125.9
[M]+	123.04454	122.8
[M]-	123.04564	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.