CID 17489

N,n-bis(2-chloroethyl)glycine

Structural Information

Molecular Formula

C₆H₁₁Cl₂NO₂

SMILES

C(CCl)N(CCCl)CC(=O)O

InChI

InChI=1S/C6H11Cl2NO2/c7-1-3-9(4-2-8)5-6(10)11/h1-5H2,(H,10,11)

InChIKey

UIHVAXRVVJJTHU-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 199.01668 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.02396	139.0
[M+Na]+	222.00590	146.3
[M-H]-	198.00940	138.6
[M+NH4]+	217.05050	159.1
[M+K]+	237.97984	143.2
[M+H-H2O]+	182.01394	135.9
[M+HCOO]-	244.01488	153.0
[M+CH3COO]-	258.03053	185.3
[M+Na-2H]-	219.99135	142.6
[M]+	199.01613	143.0
[M]-	199.01723	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe