CID 155973310

Rac-(2r,5r)-5-({[(tert-butoxy)carbonyl]amino}methyl)-1,4-dioxane-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CO[C@H](CO1)C(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-4-7-5-17-8(6-16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1
InChIKey
QIEOAIUONKDNAA-HTQZYQBOSA-N
Compound name
(2R,5R)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,4-dioxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 158.5
[M+Na]+ 284.11047 162.1
[M-H]- 260.11397 161.3
[M+NH4]+ 279.15507 171.4
[M+K]+ 300.08441 164.7
[M+H-H2O]+ 244.11851 152.6
[M+HCOO]- 306.11945 174.0
[M+CH3COO]- 320.13510 193.7
[M+Na-2H]- 282.09592 162.7
[M]+ 261.12070 159.3
[M]- 261.12180 159.3
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.