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 144.3
[M+Na]+ 237.01681 150.7
[M-H]- 213.02031 142.9
[M+NH4]+ 232.06141 163.0
[M+K]+ 252.99075 142.8
[M+H-H2O]+ 197.02485 146.4
[M+HCOO]- 259.02579 158.3
[M+CH3COO]- 273.04144 181.3
[M+Na-2H]- 235.00226 150.5
[M]+ 214.02704 144.4
[M]- 214.02814 144.4
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.