CID 20086

1-aziridinepropionic acid, ethylene ester

Structural Information

Molecular Formula
C12H20N2O4
SMILES
C1CN1CCC(=O)OCCOC(=O)CCN2CC2
InChI
InChI=1S/C12H20N2O4/c15-11(1-3-13-5-6-13)17-9-10-18-12(16)2-4-14-7-8-14/h1-10H2
InChIKey
PORWAZNYUPGJIW-UHFFFAOYSA-N
Compound name
2-[3-(aziridin-1-yl)propanoyloxy]ethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

80
Patents

256.1423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 179.2
[M+Na]+ 279.13152 185.0
[M-H]- 255.13502 182.9
[M+NH4]+ 274.17612 182.7
[M+K]+ 295.10546 182.0
[M+H-H2O]+ 239.13956 171.1
[M+HCOO]- 301.14050 195.8
[M+CH3COO]- 315.15615 204.4
[M+Na-2H]- 277.11697 178.6
[M]+ 256.14175 186.6
[M]- 256.14285 186.6
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

patents stripe