CID 10081755

128117-22-6

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKey
XJWSNDGCJMGHSR-UHFFFAOYSA-N
Compound name
benzyl 3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

207.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 142.3
[M+Na]+ 230.078758 147.5
[M-H]- 206.082264 145.9
[M+NH4]+ 225.123363 152.5
[M+K]+ 246.052698 148.9
[M+H-H2O]+ 190.086800 129.8
[M+HCOO]- 252.087741 161.5
[M+CH3COO]- 266.103391 184.8
[M+Na-2H]- 228.064206 146.7
[M]+ 207.08899142 150.4
[M]- 207.09008858 150.4
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