CID 101265836

(2r)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-3,3-dimethyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)C(=O)OC
InChI
InChI=1S/C12H21NO6/c1-11(2,3)19-10(17)13-7(8(14)15)12(4,5)9(16)18-6/h7H,1-6H3,(H,13,17)(H,14,15)/t7-/m0/s1
InChIKey
YCWJACGIOVEQHI-ZETCQYMHSA-N
Compound name
(2R)-4-methoxy-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1369 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.144176 160.3
[M+Na]+ 298.126118 164.5
[M-H]- 274.129624 159.0
[M+NH4]+ 293.170723 175.4
[M+K]+ 314.100058 166.3
[M+H-H2O]+ 258.134160 155.8
[M+HCOO]- 320.135101 176.8
[M+CH3COO]- 334.150751 198.7
[M+Na-2H]- 296.111566 161.8
[M]+ 275.13635142 163.9
[M]- 275.13744858 163.9
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.