CID 146049741

Rac-(1r,3s)-1-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC1([C@H](C[C@@]1(C(=O)O)NC(=O)OC(C)(C)C)O)C
InChI
InChI=1S/C12H21NO5/c1-10(2,3)18-9(17)13-12(8(15)16)6-7(14)11(12,4)5/h7,14H,6H2,1-5H3,(H,13,17)(H,15,16)/t7-,12-/m0/s1
InChIKey
GCCLMUDJBQQGFC-MADCSZMMSA-N
Compound name
(1R,3S)-3-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 165.5
[M+Na]+ 282.13119 166.9
[M+NH4]+ 277.17579 168.2
[M+K]+ 298.10513 164.0
[M-H]- 258.13469 159.8
[M+Na-2H]- 280.11664 165.5
[M]+ 259.14142 162.7
[M]- 259.14252 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

No patent data available for this compound.