CID 46628

N,n-bis-(2-(chloroacetoxy)ethyl)-n-methyl amine hydrochloride

Structural Information

Molecular Formula
C9H15Cl2NO4
SMILES
CN(CCOC(=O)CCl)CCOC(=O)CCl
InChI
InChI=1S/C9H15Cl2NO4/c1-12(2-4-15-8(13)6-10)3-5-16-9(14)7-11/h2-7H2,1H3
InChIKey
ZGWGKYIZIBTKEE-UHFFFAOYSA-N
Compound name
2-[2-(2-chloroacetyl)oxyethyl-methylamino]ethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04508 154.8
[M+Na]+ 294.02702 163.5
[M+NH4]+ 289.07162 160.6
[M+K]+ 310.00096 158.9
[M-H]- 270.03052 152.7
[M+Na-2H]- 292.01247 156.6
[M]+ 271.03725 155.5
[M]- 271.03835 155.5
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.