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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05237 121.8
[M+Na]+ 146.03431 130.0
[M-H]- 122.03781 122.3
[M+NH4]+ 141.07891 144.8
[M+K]+ 162.00825 124.5
[M+H-H2O]+ 106.04235 124.1
[M+HCOO]- 168.04329 141.8
[M+CH3COO]- 182.05894 165.3
[M+Na-2H]- 144.01976 132.0
[M]+ 123.04454 122.1
[M]- 123.04564 122.1
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.