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 155.5
[M+Na]+ 294.02702 162.2
[M-H]- 270.03052 156.4
[M+NH4]+ 289.07162 173.5
[M+K]+ 310.00096 160.3
[M+H-H2O]+ 254.03506 151.7
[M+HCOO]- 316.03600 170.0
[M+CH3COO]- 330.05165 199.2
[M+Na-2H]- 292.01247 157.3
[M]+ 271.03725 164.3
[M]- 271.03835 164.3
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.