CID 57404

N,n-bis(2-chloroethyl)glycine n-oxide hydrochloride

Structural Information

Molecular Formula
C6H11Cl2NO3
SMILES
C(CCl)[N+](CCCl)(CC(=O)O)[O-]
InChI
InChI=1S/C6H11Cl2NO3/c7-1-3-9(12,4-2-8)5-6(10)11/h1-5H2,(H,10,11)
InChIKey
YERSTCWWQWCTTA-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-hydroxy-2-oxoethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0116 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01888 142.3
[M+Na]+ 238.00082 149.2
[M-H]- 214.00432 140.4
[M+NH4]+ 233.04542 160.9
[M+K]+ 253.97476 141.4
[M+H-H2O]+ 198.00886 145.1
[M+HCOO]- 260.00980 154.9
[M+CH3COO]- 274.02545 176.6
[M+Na-2H]- 235.98627 149.1
[M]+ 215.01105 143.8
[M]- 215.01215 143.8
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.