CID 3063805

Glycinamide, n(sup 2),n(sup 2)-bis(2-chloroethyl)-, n(sup 2)-oxide, hydrochloride

Structural Information

Molecular Formula
C6H12Cl2N2O2
SMILES
C(CCl)[N+](CCCl)(CC(=O)N)[O-]
InChI
InChI=1S/C6H12Cl2N2O2/c7-1-3-10(12,4-2-8)5-6(9)11/h1-5H2,(H2,9,11)
InChIKey
CMHJKVGATGGSMT-UHFFFAOYSA-N
Compound name
2-amino-N,N-bis(2-chloroethyl)-2-oxoethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02759 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03487 141.5
[M+Na]+ 237.01681 152.3
[M+NH4]+ 232.06141 149.3
[M+K]+ 252.99075 148.8
[M-H]- 213.02031 142.0
[M+Na-2H]- 235.00226 144.9
[M]+ 214.02704 143.5
[M]- 214.02814 143.5
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.