CID 105533159

2alpha-[(tert-butyloxycarbonyl)amino]cyclobutane-1alpha-acetic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(8)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1
InChIKey
XEJQQXKDTNNNMU-HTQZYQBOSA-N
Compound name
2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 158.9
[M+Na]+ 252.12063 160.8
[M+NH4]+ 247.16523 159.8
[M+K]+ 268.09457 160.3
[M-H]- 228.12413 154.2
[M+Na-2H]- 250.10608 156.9
[M]+ 229.13086 156.1
[M]- 229.13196 156.1
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

No patent data available for this compound.