CID 20343123

1-[(benzyloxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO5
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C12H13NO5/c14-10(15)12(17)7-13(8-12)11(16)18-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,14,15)
InChIKey
BXAHDWSCWXHUOI-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.07938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.086656 155.7
[M+Na]+ 274.068598 160.3
[M-H]- 250.072104 158.1
[M+NH4]+ 269.113203 164.9
[M+K]+ 290.042538 162.0
[M+H-H2O]+ 234.076640 143.9
[M+HCOO]- 296.077581 172.4
[M+CH3COO]- 310.093231 189.2
[M+Na-2H]- 272.054046 158.7
[M]+ 251.07883142 164.1
[M]- 251.07992858 164.1
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