CID 146946

Aziprin

Structural Information

Molecular Formula
C11H20Cl2N2O2
SMILES
CCOC(=O)[C@@H]1CC(CN1)N(CCCl)CCCl
InChI
InChI=1S/C11H20Cl2N2O2/c1-2-17-11(16)10-7-9(8-14-10)15(5-3-12)6-4-13/h9-10,14H,2-8H2,1H3/t9?,10-/m0/s1
InChIKey
UWJJSBXYRAPJEN-AXDSSHIGSA-N
Compound name
ethyl (2S)-4-[bis(2-chloroethyl)amino]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.09018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09746 165.9
[M+Na]+ 305.07940 171.1
[M-H]- 281.08290 166.4
[M+NH4]+ 300.12400 183.0
[M+K]+ 321.05334 167.0
[M+H-H2O]+ 265.08744 160.0
[M+HCOO]- 327.08838 176.2
[M+CH3COO]- 341.10403 199.1
[M+Na-2H]- 303.06485 164.6
[M]+ 282.08963 168.0
[M]- 282.09073 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.