CID 10058275

136314-88-0

Structural Information

Molecular Formula
C8H13NO4
SMILES
CCOC(=O)[C@@H]1[C@H](N1)C(=O)OCC
InChI
InChI=1S/C8H13NO4/c1-3-12-7(10)5-6(9-5)8(11)13-4-2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey
ZDCRASVHGJDHRS-WDSKDSINSA-N
Compound name
diethyl (2S,3S)-aziridine-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

187.08446 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 143.4
[M+Na]+ 210.07368 152.4
[M-H]- 186.07718 145.4
[M+NH4]+ 205.11828 156.6
[M+K]+ 226.04762 150.0
[M+H-H2O]+ 170.08172 137.0
[M+HCOO]- 232.08266 163.5
[M+CH3COO]- 246.09831 182.7
[M+Na-2H]- 208.05913 146.1
[M]+ 187.08391 148.5
[M]- 187.08501 148.5
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