CID 317557

685508-28-5

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC(C1C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c15-12(16)10-6-7-11(10)14-13(17)18-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)
InChIKey
ZNRUEEQIUVKKBL-UHFFFAOYSA-N
Compound name
2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

249.10011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 159.3
[M+Na]+ 272.08933 164.0
[M+NH4]+ 267.13393 161.4
[M+K]+ 288.06327 161.5
[M-H]- 248.09283 158.0
[M+Na-2H]- 270.07478 161.3
[M]+ 249.09956 157.9
[M]- 249.10066 157.9
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