CID 10877226

Ethyl 4-oxoazetidine-2-carboxylate

Structural Information

Molecular Formula
C6H9NO3
SMILES
CCOC(=O)C1CC(=O)N1
InChI
InChI=1S/C6H9NO3/c1-2-10-6(9)4-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChIKey
KADNUXXOMWGVIL-UHFFFAOYSA-N
Compound name
ethyl 4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.0
[M+Na]+ 166.04746 133.1
[M-H]- 142.05096 127.9
[M+NH4]+ 161.09206 140.0
[M+K]+ 182.02140 135.6
[M+H-H2O]+ 126.05550 116.4
[M+HCOO]- 188.05644 146.4
[M+CH3COO]- 202.07209 174.3
[M+Na-2H]- 164.03291 131.3
[M]+ 143.05769 135.2
[M]- 143.05879 135.2
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

patents stripe