CID 7010517

Boc-asp-otbu

Structural Information

Molecular Formula
C13H23NO6
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1
InChIKey
RAUQRYTYJIYLTF-QMMMGPOBSA-N
Compound name
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

289.15253 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15981 165.6
[M+Na]+ 312.14175 169.3
[M+NH4]+ 307.18635 167.7
[M+K]+ 328.11569 170.4
[M-H]- 288.14525 159.5
[M+Na-2H]- 310.12720 163.6
[M]+ 289.15198 163.7
[M]- 289.15308 163.7
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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