CID 534940

Methyl aziridine-2-carboxylate (stabilized with hq)

Structural Information

Molecular Formula
C4H7NO2
SMILES
COC(=O)C1CN1
InChI
InChI=1S/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3
InChIKey
ZWCVDRJTYFIPIV-UHFFFAOYSA-N
Compound name
methyl aziridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

101.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 121.7
[M+Na]+ 124.036894 131.5
[M-H]- 100.040400 124.1
[M+NH4]+ 119.081499 138.1
[M+K]+ 140.010834 129.8
[M+H-H2O]+ 84.044936 115.8
[M+HCOO]- 146.045877 143.5
[M+CH3COO]- 160.061527 166.8
[M+Na-2H]- 122.022342 128.4
[M]+ 101.04712742 123.5
[M]- 101.04822458 123.5
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