CID 12795460

2-(4-oxoazetidin-2-yl)acetic acid

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C(NC1=O)CC(=O)O
InChI
InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKey
PFYZSIGLKDYGAG-UHFFFAOYSA-N
Compound name
2-(4-oxoazetidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

129.04259 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 124.1
[M+Na]+ 152.031808 130.0
[M-H]- 128.035314 123.7
[M+NH4]+ 147.076413 136.8
[M+K]+ 168.005748 131.9
[M+H-H2O]+ 112.039850 113.7
[M+HCOO]- 174.040791 142.2
[M+CH3COO]- 188.056441 169.5
[M+Na-2H]- 150.017256 128.2
[M]+ 129.04204142 130.0
[M]- 129.04313858 130.0
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