CID 200001

Nsc 17662

Structural Information

Molecular Formula
C8H17Cl2NO2
SMILES
CCOCC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C8H17Cl2NO2/c1-2-13-8-7-11(12,5-3-9)6-4-10/h2-8H2,1H3
InChIKey
PYXQCWXQOKUMOG-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06363 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.070906 151.7
[M+Na]+ 252.052848 158.2
[M-H]- 228.056354 150.5
[M+NH4]+ 247.097453 170.6
[M+K]+ 268.026788 150.5
[M+H-H2O]+ 212.060890 153.5
[M+HCOO]- 274.061831 165.4
[M+CH3COO]- 288.077481 184.2
[M+Na-2H]- 250.038296 158.7
[M]+ 229.06308142 155.6
[M]- 229.06417858 155.6
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.