CID 3488064

4-oxoazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C4H5NO3
SMILES
C1C(NC1=O)C(=O)O
InChI
InChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)
InChIKey
YSPMLLKKKHCTBN-UHFFFAOYSA-N
Compound name
4-oxoazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

466
Patents

115.02694 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 119.4
[M+Na]+ 138.01616 125.8
[M-H]- 114.01966 119.2
[M+NH4]+ 133.06076 132.7
[M+K]+ 153.99010 127.9
[M+H-H2O]+ 98.024200 109.2
[M+HCOO]- 160.02514 137.9
[M+CH3COO]- 174.04079 166.6
[M+Na-2H]- 136.00161 124.1
[M]+ 115.02639 125.0
[M]- 115.02749 125.0
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