CID 317557

Trans-2-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acid

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

33
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 155.2
[M+Na]+ 272.08933 158.1
[M-H]- 248.09283 159.8
[M+NH4]+ 267.13393 164.2
[M+K]+ 288.06327 159.8
[M+H-H2O]+ 232.09737 142.2
[M+HCOO]- 294.09831 175.1
[M+CH3COO]- 308.11396 195.1
[M+Na-2H]- 270.07478 157.3
[M]+ 249.09956 162.7
[M]- 249.10066 162.7
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