CID 492063

[[(3r)-2-oxooxetan-3-yl]amino] 2-phenylacetate

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1[C@H](C(=O)O1)NOC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H11NO4/c13-10(6-8-4-2-1-3-5-8)16-12-9-7-15-11(9)14/h1-5,9,12H,6-7H2/t9-/m1/s1
InChIKey
AOVIYGLPFDBBNV-SECBINFHSA-N
Compound name
[[(3R)-2-oxooxetan-3-yl]amino] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 141.9
[M+Na]+ 244.05802 146.5
[M-H]- 220.06152 148.9
[M+NH4]+ 239.10262 151.7
[M+K]+ 260.03196 149.9
[M+H-H2O]+ 204.06606 129.2
[M+HCOO]- 266.06700 164.2
[M+CH3COO]- 280.08265 191.5
[M+Na-2H]- 242.04347 148.0
[M]+ 221.06825 151.9
[M]- 221.06935 151.9
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

No patent data available for this compound.