CID 13631101

Sodium2-(2-oxoazetidin-1-yl)acetate

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CN(C1=O)CC(=O)O
InChI
InChI=1S/C5H7NO3/c7-4-1-2-6(4)3-5(8)9/h1-3H2,(H,8,9)
InChIKey
RZRRJTZLVKZGRN-UHFFFAOYSA-N
Compound name
2-(2-oxoazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

143
Patents

129.04259 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 126.0
[M+Na]+ 152.03181 131.2
[M+NH4]+ 147.07641 128.6
[M+K]+ 168.00575 129.7
[M-H]- 128.03531 121.9
[M+Na-2H]- 150.01726 126.6
[M]+ 129.04204 123.9
[M]- 129.04314 123.9
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