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

6
Patents

251.07938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 155.7
[M+Na]+ 274.06860 160.3
[M-H]- 250.07210 158.1
[M+NH4]+ 269.11320 164.9
[M+K]+ 290.04254 162.0
[M+H-H2O]+ 234.07664 143.9
[M+HCOO]- 296.07758 172.4
[M+CH3COO]- 310.09323 189.2
[M+Na-2H]- 272.05405 158.7
[M]+ 251.07883 164.1
[M]- 251.07993 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