CID 93192

Azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1C(CN1)C(=O)O
InChI
InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)
InChIKey
GFZWHAAOIVMHOI-UHFFFAOYSA-N
Compound name
azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

609
References

5360
Patents

101.047676 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 118.3
[M+Na]+ 124.036894 123.7
[M-H]- 100.040400 117.8
[M+NH4]+ 119.081499 132.0
[M+K]+ 140.010834 125.9
[M+H-H2O]+ 84.044936 108.1
[M+HCOO]- 146.045877 136.4
[M+CH3COO]- 160.061527 164.3
[M+Na-2H]- 122.022342 123.7
[M]+ 101.04712742 122.9
[M]- 101.04822458 122.9
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