CID 11054918

81323-58-2

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OC(=O)[C@H](CCO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-12(2,3)18-10(16)9(7-8-15)14-11(17)19-13(4,5)6/h9,15H,7-8H2,1-6H3,(H,14,17)/t9-/m0/s1
InChIKey
WFSWHDJTFHDJFE-VIFPVBQESA-N
Compound name
tert-butyl (2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

275.17328 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe