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

39
Patents

275.17328 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 165.6
[M+Na]+ 298.16250 169.5
[M-H]- 274.16600 164.1
[M+NH4]+ 293.20710 181.1
[M+K]+ 314.13644 170.5
[M+H-H2O]+ 258.17054 160.9
[M+HCOO]- 320.17148 182.3
[M+CH3COO]- 334.18713 198.8
[M+Na-2H]- 296.14795 167.4
[M]+ 275.17273 169.3
[M]- 275.17383 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