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

13
Patents

143.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 127.0
[M+Na]+ 166.047458 133.1
[M-H]- 142.050964 127.9
[M+NH4]+ 161.092063 140.0
[M+K]+ 182.021398 135.6
[M+H-H2O]+ 126.055500 116.4
[M+HCOO]- 188.056441 146.4
[M+CH3COO]- 202.072091 174.3
[M+Na-2H]- 164.032906 131.3
[M]+ 143.05769142 135.2
[M]- 143.05878858 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