CID 7015770

Boc-thr(tbu)-oh

Structural Information

Molecular Formula
C13H25NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-8(18-12(2,3)4)9(10(15)16)14-11(17)19-13(5,6)7/h8-9H,1-7H3,(H,14,17)(H,15,16)/t8-,9+/m1/s1
InChIKey
LKRXXARJBFBMCE-BDAKNGLRSA-N
Compound name
(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

275.17328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 164.4
[M+Na]+ 298.16250 168.5
[M+NH4]+ 293.20710 167.4
[M+K]+ 314.13644 169.1
[M-H]- 274.16600 159.1
[M+Na-2H]- 296.14795 162.9
[M]+ 275.17273 162.9
[M]- 275.17383 162.9
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

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