CID 62706972

439150-76-2

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OC(=O)C[C@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-12(2,3)18-10(16)7-9(8-15)14-11(17)19-13(4,5)6/h9,15H,7-8H2,1-6H3,(H,14,17)/t9-/m1/s1
InChIKey
VYLKHZZDXASXLR-SECBINFHSA-N
Compound name
tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

275.17328 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.180556 165.6
[M+Na]+ 298.162498 169.5
[M-H]- 274.166004 164.1
[M+NH4]+ 293.207103 181.1
[M+K]+ 314.136438 170.5
[M+H-H2O]+ 258.170540 160.9
[M+HCOO]- 320.171481 182.3
[M+CH3COO]- 334.187131 198.8
[M+Na-2H]- 296.147946 167.4
[M]+ 275.17273142 169.3
[M]- 275.17382858 169.3
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

patents stripe