CID 56309

N,n'-ethylenebis(n-(2-chloroethyl)glycine) dihydrochloride

Structural Information

Molecular Formula
C10H18Cl2N2O4
SMILES
C(CN(CCCl)CC(=O)O)N(CCCl)CC(=O)O
InChI
InChI=1S/C10H18Cl2N2O4/c11-1-3-13(7-9(15)16)5-6-14(4-2-12)8-10(17)18/h1-8H2,(H,15,16)(H,17,18)
InChIKey
PTADNTILANONKB-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl(2-chloroethyl)amino]ethyl-(2-chloroethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.06436 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07164 163.8
[M+Na]+ 323.05358 170.1
[M+NH4]+ 318.09818 168.4
[M+K]+ 339.02752 166.8
[M-H]- 299.05708 161.1
[M+Na-2H]- 321.03903 164.0
[M]+ 300.06381 163.8
[M]- 300.06491 163.8
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

patents stripe