CID 1512648

190004-53-6

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC(C1)(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c15-11(16)13(7-4-8-13)14-12(17)18-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,17)(H,15,16)
InChIKey
GDJSFBNRXFOUEQ-UHFFFAOYSA-N
Compound name
1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

249.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 159.8
[M+Na]+ 272.08933 164.3
[M+NH4]+ 267.13393 163.3
[M+K]+ 288.06327 159.9
[M-H]- 248.09283 158.4
[M+Na-2H]- 270.07478 163.5
[M]+ 249.09956 158.6
[M]- 249.10066 158.6
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